N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetamide

C19H26N6O2 — CID 169114059

IUPACN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESC[C@@H]1CC[C@@H](C2CCCC2)N(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)C1
InChIInChI=1S/C19H26N6O2/c1-11-6-7-15(12-4-2-3-5-12)25(10-11)19(27)18(26)23-14-9-21-17(20)13-8-22-24-16(13)14/h8-9,11-12,15H,2-7,10H2,1H3,(H2,20,21)(H,22,24)(H,23,26)/t11-,15+/m1/s1
InChIKeyYZIFGFQGGZYNRX-ABAIWWIYSA-N
MW370.46 g/mol
LogP2.30
Rot. Bonds2

About N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetamide

N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 169114059) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetamide
PubChem CID169114059
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC NameN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESC[C@@H]1CC[C@@H](C2CCCC2)N(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)C1
InChIInChI=1S/C19H26N6O2/c1-11-6-7-15(12-4-2-3-5-12)25(10-11)19(27)18(26)23-14-9-21-17(20)13-8-22-24-16(13)14/h8-9,11-12,15H,2-7,10H2,1H3,(H2,20,21)(H,22,24)(H,23,26)/t11-,15+/m1/s1
InChIKeyYZIFGFQGGZYNRX-ABAIWWIYSA-N
XLogP2.30
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555244
1-[3-(2,6-dimethyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555534
1-[3-(6-methylpyridazin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 92044553
4-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one
CID 71253507
3-methyl-1-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]imidazolidine-2,4-dione
CID 71254349
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-1-phenylethyl]urea
CID 71555245
1-(3-cyclopentyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea
CID 92044904
US11111247, Example 38
CID 146448856
US11111247, Example 36
CID 146448915
3-cyclopropyl-1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one
CID 155484406
1-methyl-3-propan-2-yl-4-[3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one
CID 155484410
1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-propan-2-ylpiperazin-2-one
CID 155484594

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetamide (CID 169114059) is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetamide is C[C@@H]1CC[C@@H](C2CCCC2)N(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)C1.
What is the InChIKey of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is YZIFGFQGGZYNRX-ABAIWWIYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-11-6-7-15(12-4-2-3-5-12)25(10-11)19(27)18(26)23-14-9-21-17(20)13-8-22-24-16(13)14/h8-9,11-12,15H,2-7,10H2,1H3,(H2,20,21)(H,22,24)(H,23,26)/t11-,15+/m1/s1.
What are the key properties of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetamide?
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 370.46 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169114059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).