N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-5-methyl-2-phenyl-4-propan-2-ylpiperazin-1-yl]-2-oxoacetamide

C22H27N7O2 — CID 169115153

IUPACN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-5-methyl-2-phenyl-4-propan-2-ylpiperazin-1-yl]-2-oxoacetamide
SMILESCC(C)N1C[C@H](c2ccccc2)N(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)C[C@H]1C
InChIInChI=1S/C22H27N7O2/c1-13(2)28-12-18(15-7-5-4-6-8-15)29(11-14(28)3)22(31)21(30)26-17-10-24-20(23)16-9-25-27-19(16)17/h4-10,13-14,18H,11-12H2,1-3H3,(H2,23,24)(H,25,27)(H,26,30)/t14-,18-/m1/s1
InChIKeyZDQWONOIUZMVAB-RDTXWAMCSA-N
MW421.51 g/mol
LogP2.16
Rot. Bonds3

About N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-5-methyl-2-phenyl-4-propan-2-ylpiperazin-1-yl]-2-oxoacetamide

N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-5-methyl-2-phenyl-4-propan-2-ylpiperazin-1-yl]-2-oxoacetamide (PubChem CID 169115153) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-5-methyl-2-phenyl-4-propan-2-ylpiperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-5-methyl-2-phenyl-4-propan-2-ylpiperazin-1-yl]-2-oxoacetamide
PubChem CID169115153
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC NameN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-5-methyl-2-phenyl-4-propan-2-ylpiperazin-1-yl]-2-oxoacetamide
SMILESCC(C)N1C[C@H](c2ccccc2)N(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)C[C@H]1C
InChIInChI=1S/C22H27N7O2/c1-13(2)28-12-18(15-7-5-4-6-8-15)29(11-14(28)3)22(31)21(30)26-17-10-24-20(23)16-9-25-27-19(16)17/h4-10,13-14,18H,11-12H2,1-3H3,(H2,23,24)(H,25,27)(H,26,30)/t14-,18-/m1/s1
InChIKeyZDQWONOIUZMVAB-RDTXWAMCSA-N
XLogP2.16
TPSA120.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-5-methyl-2-phenyl-4-propan-2-ylpiperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-5-methyl-2-phenyl-4-propan-2-ylpiperazin-1-yl]-2-oxoacetamide (CID 169115153) is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-5-methyl-2-phenyl-4-propan-2-ylpiperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-5-methyl-2-phenyl-4-propan-2-ylpiperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-5-methyl-2-phenyl-4-propan-2-ylpiperazin-1-yl]-2-oxoacetamide is CC(C)N1C[C@H](c2ccccc2)N(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)C[C@H]1C.
What is the InChIKey of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-5-methyl-2-phenyl-4-propan-2-ylpiperazin-1-yl]-2-oxoacetamide?
The InChIKey is ZDQWONOIUZMVAB-RDTXWAMCSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-13(2)28-12-18(15-7-5-4-6-8-15)29(11-14(28)3)22(31)21(30)26-17-10-24-20(23)16-9-25-27-19(16)17/h4-10,13-14,18H,11-12H2,1-3H3,(H2,23,24)(H,25,27)(H,26,30)/t14-,18-/m1/s1.
What are the key properties of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-5-methyl-2-phenyl-4-propan-2-ylpiperazin-1-yl]-2-oxoacetamide?
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-5-methyl-2-phenyl-4-propan-2-ylpiperazin-1-yl]-2-oxoacetamide has a molecular weight of 421.51 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 6 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)-5-methyl-2-phenyl-4-propan-2-ylpiperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169115153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).