6-cyclopropyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H25N5O3 — CID 60571985

IUPAC6-cyclopropyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)NCCNC(=O)c3ccccc3O)cc(C3CC3)nc21
InChIInChI=1S/C22H25N5O3/c1-13(2)27-20-17(12-25-27)16(11-18(26-20)14-7-8-14)22(30)24-10-9-23-21(29)15-5-3-4-6-19(15)28/h3-6,11-14,28H,7-10H2,1-2H3,(H,23,29)(H,24,30)
InChIKeySZXXXJXVDZJELA-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.76
Rot. Bonds7

About 6-cyclopropyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 60571985) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID60571985
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name6-cyclopropyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)NCCNC(=O)c3ccccc3O)cc(C3CC3)nc21
InChIInChI=1S/C22H25N5O3/c1-13(2)27-20-17(12-25-27)16(11-18(26-20)14-7-8-14)22(30)24-10-9-23-21(29)15-5-3-4-6-19(15)28/h3-6,11-14,28H,7-10H2,1-2H3,(H,23,29)(H,24,30)
InChIKeySZXXXJXVDZJELA-UHFFFAOYSA-N
XLogP2.76
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-cyclopropyl-N-(2-hydroxypropyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78855347
6-cyclopropyl-N-[2-(4-methylphenyl)sulfanylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 9392413
6-cyclopropyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 41131764
6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 120828271
6-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 9394148
6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120828270
methyl 6-[(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoate
CID 31840060
6-cyclopropyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 41439235
6-cyclopropyl-1-propan-2-yl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35034977
6-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 111333171
6-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 9209227
N-benzyl-6-cyclopropyl-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27665854

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 60571985) is 6-cyclopropyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)NCCNC(=O)c3ccccc3O)cc(C3CC3)nc21.
What is the InChIKey of 6-cyclopropyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is SZXXXJXVDZJELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-13(2)27-20-17(12-25-27)16(11-18(26-20)14-7-8-14)22(30)24-10-9-23-21(29)15-5-3-4-6-19(15)28/h3-6,11-14,28H,7-10H2,1-2H3,(H,23,29)(H,24,30).
What are the key properties of 6-cyclopropyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 60571985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).