5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H20ClN7O2 — CID 137441439

IUPAC5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(Cl)cc(Nc2cc(NC)n3ncc(C(=O)NC4CC4)c3n2)c1=O
InChIInChI=1S/C18H20ClN7O2/c1-3-25-9-10(19)6-13(18(25)28)23-14-7-15(20-2)26-16(24-14)12(8-21-26)17(27)22-11-4-5-11/h6-9,11,20H,3-5H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyHXORGOYBKSQVDR-UHFFFAOYSA-N
MW401.86 g/mol
LogP2.24
Rot. Bonds6

About 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137441439) has the molecular formula C18H20ClN7O2 and a molecular weight of 401.86 g/mol. Its IUPAC name is 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137441439
Molecular FormulaC18H20ClN7O2
Molecular Weight401.86 g/mol
Exact Mass401.14
IUPAC Name5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(Cl)cc(Nc2cc(NC)n3ncc(C(=O)NC4CC4)c3n2)c1=O
InChIInChI=1S/C18H20ClN7O2/c1-3-25-9-10(19)6-13(18(25)28)23-14-7-15(20-2)26-16(24-14)12(8-21-26)17(27)22-11-4-5-11/h6-9,11,20H,3-5H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyHXORGOYBKSQVDR-UHFFFAOYSA-N
XLogP2.24
TPSA105.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.86
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441491
N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449271
N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449741
N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450263
N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560353
N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-(oxetan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560351
5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441399
N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441414
N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441426
5-[[1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441429
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-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441562

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137441439) is 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1cc(Cl)cc(Nc2cc(NC)n3ncc(C(=O)NC4CC4)c3n2)c1=O.
What is the InChIKey of 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HXORGOYBKSQVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN7O2/c1-3-25-9-10(19)6-13(18(25)28)23-14-7-15(20-2)26-16(24-14)12(8-21-26)17(27)22-11-4-5-11/h6-9,11,20H,3-5H2,1-2H3,(H,22,27)(H,23,24).
What are the key properties of 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 401.86 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137441439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).