N-[(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-(2-hydroxyethyl)benzamide

C25H24N6O3 — CID 177286999

IUPACN-[(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-(2-hydroxyethyl)benzamide
SMILESCCOc1cc(C(=O)N(CCO)Cc2cnc(N)c3cn[nH]c23)ccc1-c1cccc(C#N)c1
InChIInChI=1S/C25H24N6O3/c1-2-34-22-11-18(6-7-20(22)17-5-3-4-16(10-17)12-26)25(33)31(8-9-32)15-19-13-28-24(27)21-14-29-30-23(19)21/h3-7,10-11,13-14,32H,2,8-9,15H2,1H3,(H2,27,28)(H,29,30)
InChIKeyKYBOANMIKRYGQK-UHFFFAOYSA-N
MW456.51 g/mol
LogP3.11
Rot. Bonds8

About N-[(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-(2-hydroxyethyl)benzamide

N-[(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-(2-hydroxyethyl)benzamide (PubChem CID 177286999) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is N-[(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound NameN-[(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-(2-hydroxyethyl)benzamide
PubChem CID177286999
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC NameN-[(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-(2-hydroxyethyl)benzamide
SMILESCCOc1cc(C(=O)N(CCO)Cc2cnc(N)c3cn[nH]c23)ccc1-c1cccc(C#N)c1
InChIInChI=1S/C25H24N6O3/c1-2-34-22-11-18(6-7-20(22)17-5-3-4-16(10-17)12-26)25(33)31(8-9-32)15-19-13-28-24(27)21-14-29-30-23(19)21/h3-7,10-11,13-14,32H,2,8-9,15H2,1H3,(H2,27,28)(H,29,30)
InChIKeyKYBOANMIKRYGQK-UHFFFAOYSA-N
XLogP3.11
TPSA141.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-(2-hydroxyethyl)benzamide?
The IUPAC name of N-[(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-(2-hydroxyethyl)benzamide (CID 177286999) is N-[(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for N-[(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for N-[(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-(2-hydroxyethyl)benzamide is CCOc1cc(C(=O)N(CCO)Cc2cnc(N)c3cn[nH]c23)ccc1-c1cccc(C#N)c1.
What is the InChIKey of N-[(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-(2-hydroxyethyl)benzamide?
The InChIKey is KYBOANMIKRYGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-2-34-22-11-18(6-7-20(22)17-5-3-4-16(10-17)12-26)25(33)31(8-9-32)15-19-13-28-24(27)21-14-29-30-23(19)21/h3-7,10-11,13-14,32H,2,8-9,15H2,1H3,(H2,27,28)(H,29,30).
What are the key properties of N-[(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-(2-hydroxyethyl)benzamide?
N-[(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-(2-hydroxyethyl)benzamide has a molecular weight of 456.51 g/mol, XLogP of 3.11, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 177286999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).