N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-(cyclopropylmethyl)-N'-[(2-methylphenyl)methyl]oxamide

C25H30N6O3 — CID 169110949

IUPACN-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-(cyclopropylmethyl)-N'-[(2-methylphenyl)methyl]oxamide
SMILESCc1ccccc1CN(CC1CC1)C(=O)C(=O)Nc1cnc(N)c2cnn(C3CCCCO3)c12
InChIInChI=1S/C25H30N6O3/c1-16-6-2-3-7-18(16)15-30(14-17-9-10-17)25(33)24(32)29-20-13-27-23(26)19-12-28-31(22(19)20)21-8-4-5-11-34-21/h2-3,6-7,12-13,17,21H,4-5,8-11,14-15H2,1H3,(H2,26,27)(H,29,32)
InChIKeyLTUDEKWUYPGJDV-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.40
Rot. Bonds6

About N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-(cyclopropylmethyl)-N'-[(2-methylphenyl)methyl]oxamide

N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-(cyclopropylmethyl)-N'-[(2-methylphenyl)methyl]oxamide (PubChem CID 169110949) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-(cyclopropylmethyl)-N'-[(2-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-(cyclopropylmethyl)-N'-[(2-methylphenyl)methyl]oxamide
PubChem CID169110949
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC NameN-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-(cyclopropylmethyl)-N'-[(2-methylphenyl)methyl]oxamide
SMILESCc1ccccc1CN(CC1CC1)C(=O)C(=O)Nc1cnc(N)c2cnn(C3CCCCO3)c12
InChIInChI=1S/C25H30N6O3/c1-16-6-2-3-7-18(16)15-30(14-17-9-10-17)25(33)24(32)29-20-13-27-23(26)19-12-28-31(22(19)20)21-8-4-5-11-34-21/h2-3,6-7,12-13,17,21H,4-5,8-11,14-15H2,1H3,(H2,26,27)(H,29,32)
InChIKeyLTUDEKWUYPGJDV-UHFFFAOYSA-N
XLogP3.40
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-(cyclopropylmethyl)-N'-[(2-methylphenyl)methyl]oxamide?
The IUPAC name of N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-(cyclopropylmethyl)-N'-[(2-methylphenyl)methyl]oxamide (CID 169110949) is N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-(cyclopropylmethyl)-N'-[(2-methylphenyl)methyl]oxamide.
What is the SMILES notation for N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-(cyclopropylmethyl)-N'-[(2-methylphenyl)methyl]oxamide?
The canonical SMILES for N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-(cyclopropylmethyl)-N'-[(2-methylphenyl)methyl]oxamide is Cc1ccccc1CN(CC1CC1)C(=O)C(=O)Nc1cnc(N)c2cnn(C3CCCCO3)c12.
What is the InChIKey of N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-(cyclopropylmethyl)-N'-[(2-methylphenyl)methyl]oxamide?
The InChIKey is LTUDEKWUYPGJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-16-6-2-3-7-18(16)15-30(14-17-9-10-17)25(33)24(32)29-20-13-27-23(26)19-12-28-31(22(19)20)21-8-4-5-11-34-21/h2-3,6-7,12-13,17,21H,4-5,8-11,14-15H2,1H3,(H2,26,27)(H,29,32).
What are the key properties of N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-(cyclopropylmethyl)-N'-[(2-methylphenyl)methyl]oxamide?
N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-(cyclopropylmethyl)-N'-[(2-methylphenyl)methyl]oxamide has a molecular weight of 462.55 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-(cyclopropylmethyl)-N'-[(2-methylphenyl)methyl]oxamide is sourced from PubChem (CID 169110949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).