4-amino-N-(6-bromo-1,3-benzoxazol-2-yl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide

C19H18BrN7O2 — CID 146524044

IUPAC4-amino-N-(6-bromo-1,3-benzoxazol-2-yl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide
SMILESNc1nccc2c1c(C(=O)Nc1nc3ccc(Br)cc3o1)nn2C1CCCNC1
InChIInChI=1S/C19H18BrN7O2/c20-10-3-4-12-14(8-10)29-19(24-12)25-18(28)16-15-13(5-7-23-17(15)21)27(26-16)11-2-1-6-22-9-11/h3-5,7-8,11,22H,1-2,6,9H2,(H2,21,23)(H,24,25,28)
InChIKeyYAQKTWQLSHAYFR-UHFFFAOYSA-N
MW456.30 g/mol
LogP3.09
Rot. Bonds3

About 4-amino-N-(6-bromo-1,3-benzoxazol-2-yl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide

4-amino-N-(6-bromo-1,3-benzoxazol-2-yl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 146524044) has the molecular formula C19H18BrN7O2 and a molecular weight of 456.30 g/mol. Its IUPAC name is 4-amino-N-(6-bromo-1,3-benzoxazol-2-yl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(6-bromo-1,3-benzoxazol-2-yl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID146524044
Molecular FormulaC19H18BrN7O2
Molecular Weight456.30 g/mol
Exact Mass455.07
IUPAC Name4-amino-N-(6-bromo-1,3-benzoxazol-2-yl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide
SMILESNc1nccc2c1c(C(=O)Nc1nc3ccc(Br)cc3o1)nn2C1CCCNC1
InChIInChI=1S/C19H18BrN7O2/c20-10-3-4-12-14(8-10)29-19(24-12)25-18(28)16-15-13(5-7-23-17(15)21)27(26-16)11-2-1-6-22-9-11/h3-5,7-8,11,22H,1-2,6,9H2,(H2,21,23)(H,24,25,28)
InChIKeyYAQKTWQLSHAYFR-UHFFFAOYSA-N
XLogP3.09
TPSA123.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.30
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl (3R)-3-[4-amino-3-[(6-bromo-1,3-benzoxazol-2-yl)carbamoyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate
CID 142749932
4-amino-N-(5-fluoro-1,3-benzoxazol-2-yl)-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 118519694
3-[2-fluoro-4-[3-(pyridin-2-ylamino)oxiran-2-yl]phenyl]-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridin-4-amine
CID 137412144
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-(1,3-benzoxazol-2-yl)-1-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 118519784
N-[[4-[4-amino-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]-3-fluoro-5-(trifluoromethyl)benzenesulfonamide
CID 118385931
3-bromo-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 126509833
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
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-1-[(3R)-1-[4-(dimethylamino)but-2-enoyl]piperidin-3-yl]-N-(5-thiophen-2-yl-1,3-benzoxazol-2-yl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 154300800
4-amino-1-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-3-yl]-N-(5-thiophen-2-yl-1,3-benzoxazol-2-yl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 118519838
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-bromo-1,3-benzoxazol-2-yl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 4-amino-N-(6-bromo-1,3-benzoxazol-2-yl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide (CID 146524044) is 4-amino-N-(6-bromo-1,3-benzoxazol-2-yl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-(6-bromo-1,3-benzoxazol-2-yl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-(6-bromo-1,3-benzoxazol-2-yl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide is Nc1nccc2c1c(C(=O)Nc1nc3ccc(Br)cc3o1)nn2C1CCCNC1.
What is the InChIKey of 4-amino-N-(6-bromo-1,3-benzoxazol-2-yl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is YAQKTWQLSHAYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN7O2/c20-10-3-4-12-14(8-10)29-19(24-12)25-18(28)16-15-13(5-7-23-17(15)21)27(26-16)11-2-1-6-22-9-11/h3-5,7-8,11,22H,1-2,6,9H2,(H2,21,23)(H,24,25,28).
What are the key properties of 4-amino-N-(6-bromo-1,3-benzoxazol-2-yl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide?
4-amino-N-(6-bromo-1,3-benzoxazol-2-yl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 456.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-bromo-1,3-benzoxazol-2-yl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 146524044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).