6-cyclopropyl-N,1,3-trimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C24H29N5O2 — CID 30755450

IUPAC6-cyclopropyl-N,1,3-trimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C24H29N5O2/c1-16-22-20(14-21(18-6-7-18)25-23(22)28(3)26-16)24(30)27(2)15-17-4-8-19(9-5-17)29-10-12-31-13-11-29/h4-5,8-9,14,18H,6-7,10-13,15H2,1-3H3
InChIKeyVXMVZIDOANFZTP-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.26
Rot. Bonds5

About 6-cyclopropyl-N,1,3-trimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N,1,3-trimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 30755450) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 6-cyclopropyl-N,1,3-trimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N,1,3-trimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID30755450
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name6-cyclopropyl-N,1,3-trimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C24H29N5O2/c1-16-22-20(14-21(18-6-7-18)25-23(22)28(3)26-16)24(30)27(2)15-17-4-8-19(9-5-17)29-10-12-31-13-11-29/h4-5,8-9,14,18H,6-7,10-13,15H2,1-3H3
InChIKeyVXMVZIDOANFZTP-UHFFFAOYSA-N
XLogP3.26
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N,1,3-trimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N,1,3-trimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 30755450) is 6-cyclopropyl-N,1,3-trimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N,1,3-trimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N,1,3-trimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C3CC3)cc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c12.
What is the InChIKey of 6-cyclopropyl-N,1,3-trimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is VXMVZIDOANFZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-16-22-20(14-21(18-6-7-18)25-23(22)28(3)26-16)24(30)27(2)15-17-4-8-19(9-5-17)29-10-12-31-13-11-29/h4-5,8-9,14,18H,6-7,10-13,15H2,1-3H3.
What are the key properties of 6-cyclopropyl-N,1,3-trimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N,1,3-trimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N,1,3-trimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 30755450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).