4-amino-7-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridine-3-carboxamide

C23H22ClN7O3 — CID 146608416

IUPAC4-amino-7-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridine-3-carboxamide
SMILESC=CC(=O)N1CCCC(n2nc(C(=O)Nc3nc4cc(C)ccc4o3)c3c(N)ncc(Cl)c32)C1
InChIInChI=1S/C23H22ClN7O3/c1-3-17(32)30-8-4-5-13(11-30)31-20-14(24)10-26-21(25)18(20)19(29-31)22(33)28-23-27-15-9-12(2)6-7-16(15)34-23/h3,6-7,9-10,13H,1,4-5,8,11H2,2H3,(H2,25,26)(H,27,28,33)
InChIKeyQDKJJWSJXBFPBG-UHFFFAOYSA-N
MW479.93 g/mol
LogP3.72
Rot. Bonds4

About 4-amino-7-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridine-3-carboxamide

4-amino-7-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 146608416) has the molecular formula C23H22ClN7O3 and a molecular weight of 479.93 g/mol. Its IUPAC name is 4-amino-7-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-7-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridine-3-carboxamide
PubChem CID146608416
Molecular FormulaC23H22ClN7O3
Molecular Weight479.93 g/mol
Exact Mass479.15
IUPAC Name4-amino-7-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridine-3-carboxamide
SMILESC=CC(=O)N1CCCC(n2nc(C(=O)Nc3nc4cc(C)ccc4o3)c3c(N)ncc(Cl)c32)C1
InChIInChI=1S/C23H22ClN7O3/c1-3-17(32)30-8-4-5-13(11-30)31-20-14(24)10-26-21(25)18(20)19(29-31)22(33)28-23-27-15-9-12(2)6-7-16(15)34-23/h3,6-7,9-10,13H,1,4-5,8,11H2,2H3,(H2,25,26)(H,27,28,33)
InChIKeyQDKJJWSJXBFPBG-UHFFFAOYSA-N
XLogP3.72
TPSA132.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.93
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-amino-7-chloro-N-phenyl-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-3-carboxamide
CID 137412204
bis(4-amino-N-(1,3-benzoxazol-2-yl)-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidine-3-carboxamide);(E)-but-2-enedioic acid
CID 126569708
4-amino-N-(5-hydroxy-1,3-benzoxazol-2-yl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 163726359
4-amino-N-(5-fluoro-1,3-benzoxazol-2-yl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 118519833
tert-butyl (3R)-3-[4-amino-3-[(5-fluoro-1,3-benzoxazol-2-yl)carbamoyl]-7-methylpyrazolo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate
CID 146608325
4-amino-N-(1,3-benzoxazol-2-yl)-1-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 118519784
4-amino-1-[(3R)-1-but-2-enoylpyrrolidin-3-yl]-N-(5-chloro-1,3-benzoxazol-2-yl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 154358263
4-amino-N-(2-chloro-4-hydroxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 130276919
(3R)-3-[4-amino-7-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)pyrazolo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid
CID 146524198
4-[4-amino-7-chloro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-N-pyridin-2-ylbenzamide
CID 134521503
4-[4-amino-7-chloro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridin-3-yl]-3-methoxy-N-pyridin-2-ylbenzamide
CID 146524150
1-[(3S)-3-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one
CID 170252655

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of 4-amino-7-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridine-3-carboxamide (CID 146608416) is 4-amino-7-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-7-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for 4-amino-7-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridine-3-carboxamide is C=CC(=O)N1CCCC(n2nc(C(=O)Nc3nc4cc(C)ccc4o3)c3c(N)ncc(Cl)c32)C1.
What is the InChIKey of 4-amino-7-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is QDKJJWSJXBFPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN7O3/c1-3-17(32)30-8-4-5-13(11-30)31-20-14(24)10-26-21(25)18(20)19(29-31)22(33)28-23-27-15-9-12(2)6-7-16(15)34-23/h3,6-7,9-10,13H,1,4-5,8,11H2,2H3,(H2,25,26)(H,27,28,33).
What are the key properties of 4-amino-7-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridine-3-carboxamide?
4-amino-7-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 479.93 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 146608416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).