N-cyclopropyl-5-[[1-[1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3S)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3R)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C72H87N27O6 — CID 159193918

IUPACN-cyclopropyl-5-[[1-[1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3S)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3R)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILES[C-]#[N+]CCN1CCCC(n2cccc(Nc3cc(NC)n4ncc(C(=O)NC5CC5)c4n3)c2=O)C1.[C-]#[N+]CCN1CCC[C@@H](n2cccc(Nc3cc(NC)n4ncc(C(=O)NC5CC5)c4n3)c2=O)C1.[C-]#[N+]CCN1CCC[C@H](n2cccc(Nc3cc(NC)n4ncc(C(=O)NC5CC5)c4n3)c2=O)C1
InChIInChI=1S/3C24H29N9O2/c3*1-25-9-12-31-10-3-5-17(15-31)32-11-4-6-19(24(32)35)29-20-13-21(26-2)33-22(30-20)18(14-27-33)23(34)28-16-7-8-16/h3*4,6,11,13-14,16-17,26H,3,5,7-10,12,15H2,2H3,(H,28,34)(H,29,30)/t2*17-;/m10./s1
InChIKeyKOKQYMHMYLPESO-PUTKXPNSSA-N
MW1426.67 g/mol
LogP6.37
Rot. Bonds24

About N-cyclopropyl-5-[[1-[1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3S)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3R)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-5-[[1-[1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3S)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3R)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 159193918) has the molecular formula C72H87N27O6 and a molecular weight of 1426.67 g/mol. Its IUPAC name is N-cyclopropyl-5-[[1-[1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3S)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3R)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[[1-[1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3S)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3R)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID159193918
Molecular FormulaC72H87N27O6
Molecular Weight1426.67 g/mol
Exact Mass1425.73
IUPAC NameN-cyclopropyl-5-[[1-[1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3S)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3R)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILES[C-]#[N+]CCN1CCCC(n2cccc(Nc3cc(NC)n4ncc(C(=O)NC5CC5)c4n3)c2=O)C1.[C-]#[N+]CCN1CCC[C@@H](n2cccc(Nc3cc(NC)n4ncc(C(=O)NC5CC5)c4n3)c2=O)C1.[C-]#[N+]CCN1CCC[C@H](n2cccc(Nc3cc(NC)n4ncc(C(=O)NC5CC5)c4n3)c2=O)C1
InChIInChI=1S/3C24H29N9O2/c3*1-25-9-12-31-10-3-5-17(15-31)32-11-4-6-19(24(32)35)29-20-13-21(26-2)33-22(30-20)18(14-27-33)23(34)28-16-7-8-16/h3*4,6,11,13-14,16-17,26H,3,5,7-10,12,15H2,2H3,(H,28,34)(H,29,30)/t2*17-;/m10./s1
InChIKeyKOKQYMHMYLPESO-PUTKXPNSSA-N
XLogP6.37
TPSA338.85 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001426.67
LogP ≤ 56.37
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-cyclopropyl-5-[[1-[1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3S)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3R)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441452
5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449129
N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449216
N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449217
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449361
N-cyclopropyl-5-[[1-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449511
N-cyclopropyl-5-[[5-fluoro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449536
N-cyclopropyl-5-[[1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449540
N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449727
N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-[(3R)-1-methylpiperidin-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449756
N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-[(3S)-1-methylpiperidin-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449758
N-cyclopropyl-5-[[1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449907

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[[1-[1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3S)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3R)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[[1-[1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3S)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3R)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 159193918) is N-cyclopropyl-5-[[1-[1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3S)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3R)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[[1-[1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3S)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3R)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[[1-[1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3S)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3R)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is [C-]#[N+]CCN1CCCC(n2cccc(Nc3cc(NC)n4ncc(C(=O)NC5CC5)c4n3)c2=O)C1.[C-]#[N+]CCN1CCC[C@@H](n2cccc(Nc3cc(NC)n4ncc(C(=O)NC5CC5)c4n3)c2=O)C1.[C-]#[N+]CCN1CCC[C@H](n2cccc(Nc3cc(NC)n4ncc(C(=O)NC5CC5)c4n3)c2=O)C1.
What is the InChIKey of N-cyclopropyl-5-[[1-[1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3S)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3R)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KOKQYMHMYLPESO-PUTKXPNSSA-N. The full InChI is InChI=1S/3C24H29N9O2/c3*1-25-9-12-31-10-3-5-17(15-31)32-11-4-6-19(24(32)35)29-20-13-21(26-2)33-22(30-20)18(14-27-33)23(34)28-16-7-8-16/h3*4,6,11,13-14,16-17,26H,3,5,7-10,12,15H2,2H3,(H,28,34)(H,29,30)/t2*17-;/m10./s1.
What are the key properties of N-cyclopropyl-5-[[1-[1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3S)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3R)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-5-[[1-[1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3S)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3R)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1426.67 g/mol, XLogP of 6.37, 24 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[[1-[1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3S)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[1-[(3R)-1-(2-isocyanoethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 159193918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).