N-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]formamide

C20H20N8O3 — CID 165134113

IUPACN-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]formamide
SMILESCN1C(=O)CN(c2cc(C3CC3)cc3cc(CNc4cc(NC=O)ncn4)nn23)C1=O
InChIInChI=1S/C20H20N8O3/c1-26-19(30)9-27(20(26)31)18-5-13(12-2-3-12)4-15-6-14(25-28(15)18)8-21-16-7-17(24-11-29)23-10-22-16/h4-7,10-12H,2-3,8-9H2,1H3,(H2,21,22,23,24,29)
InChIKeyHQFUORDVMFHFCV-UHFFFAOYSA-N
MW420.43 g/mol
LogP1.58
Rot. Bonds7

About N-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]formamide

N-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]formamide (PubChem CID 165134113) has the molecular formula C20H20N8O3 and a molecular weight of 420.43 g/mol. Its IUPAC name is N-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]formamide.

Molecular Properties

Compound NameN-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]formamide
PubChem CID165134113
Molecular FormulaC20H20N8O3
Molecular Weight420.43 g/mol
Exact Mass420.17
IUPAC NameN-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]formamide
SMILESCN1C(=O)CN(c2cc(C3CC3)cc3cc(CNc4cc(NC=O)ncn4)nn23)C1=O
InChIInChI=1S/C20H20N8O3/c1-26-19(30)9-27(20(26)31)18-5-13(12-2-3-12)4-15-6-14(25-28(15)18)8-21-16-7-17(24-11-29)23-10-22-16/h4-7,10-12H,2-3,8-9H2,1H3,(H2,21,22,23,24,29)
InChIKeyHQFUORDVMFHFCV-UHFFFAOYSA-N
XLogP1.58
TPSA124.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-[5-cyclopropyl-2-(hydroxymethyl)pyrazolo[1,5-a]pyridin-7-yl]-3-methylimidazolidine-2,4-dione
CID 165134269
N-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 171758794
trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[5-cyclopropyl-7-(2-oxo-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 165134283
trans-(1S,2S)-2-(4-chloro-2-pyridinyl)-N-[6-[[5-cyclopropyl-7-(2-oxo-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 165134021
1-[2-[[(6-bromopyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]-3-methylimidazolidine-2,4-dione
CID 165134086
1-[2-[(1R)-1-[(3-amino-1,2,4-triazin-5-yl)amino]ethyl]-5-cyclopropylpyrazolo[1,5-a]pyridin-7-yl]-3-methylimidazolidine-2,4-dione
CID 170695315
N-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide
CID 165133161
[3-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-2,5-dioxoimidazolidin-1-yl]methyl dihydrogen phosphate;2-cyclopropyl-4-methylpyrimidine
CID 165132279
cis-(1R,2R)-N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 175616964
N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(4-methyl-1,3,5-triazin-2-yl)cyclopropane-1-carboxamide
CID 170774688
trans-(1S,2S)-N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide
CID 171758742
trans-(1R,2R)-N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 165133048

Frequently Asked Questions

What is the IUPAC name of N-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]formamide?
The IUPAC name of N-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]formamide (CID 165134113) is N-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]formamide.
What is the SMILES notation for N-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]formamide?
The canonical SMILES for N-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]formamide is CN1C(=O)CN(c2cc(C3CC3)cc3cc(CNc4cc(NC=O)ncn4)nn23)C1=O.
What is the InChIKey of N-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]formamide?
The InChIKey is HQFUORDVMFHFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O3/c1-26-19(30)9-27(20(26)31)18-5-13(12-2-3-12)4-15-6-14(25-28(15)18)8-21-16-7-17(24-11-29)23-10-22-16/h4-7,10-12H,2-3,8-9H2,1H3,(H2,21,22,23,24,29).
What are the key properties of N-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]formamide?
N-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]formamide has a molecular weight of 420.43 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)pyrazolo[1,5-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]formamide is sourced from PubChem (CID 165134113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).