N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-(methoxymethyl)pyridine-2-carboxamide;hydrochloride

C20H24BrClN6O2 — CID 141253997

IUPACN-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-(methoxymethyl)pyridine-2-carboxamide;hydrochloride
SMILESCOCc1cccc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCC[C@@H](N)C4)c23)n1.Cl
InChIInChI=1S/C20H23BrN6O2.ClH/c1-29-11-13-5-2-6-15(25-13)20(28)26-16-9-24-19-17(16)18(14(21)8-23-19)27-7-3-4-12(22)10-27;/h2,5-6,8-9,12H,3-4,7,10-11,22H2,1H3,(H,23,24)(H,26,28);1H/t12-;/m1./s1
InChIKeyODTSLRKZCYPBHC-UTONKHPSSA-N
MW495.81 g/mol
LogP3.47
Rot. Bonds5

About N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-(methoxymethyl)pyridine-2-carboxamide;hydrochloride

N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-(methoxymethyl)pyridine-2-carboxamide;hydrochloride (PubChem CID 141253997) has the molecular formula C20H24BrClN6O2 and a molecular weight of 495.81 g/mol. Its IUPAC name is N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-(methoxymethyl)pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-(methoxymethyl)pyridine-2-carboxamide;hydrochloride
PubChem CID141253997
Molecular FormulaC20H24BrClN6O2
Molecular Weight495.81 g/mol
Exact Mass494.08
IUPAC NameN-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-(methoxymethyl)pyridine-2-carboxamide;hydrochloride
SMILESCOCc1cccc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCC[C@@H](N)C4)c23)n1.Cl
InChIInChI=1S/C20H23BrN6O2.ClH/c1-29-11-13-5-2-6-15(25-13)20(28)26-16-9-24-19-17(16)18(14(21)8-23-19)27-7-3-4-12(22)10-27;/h2,5-6,8-9,12H,3-4,7,10-11,22H2,1H3,(H,23,24)(H,26,28);1H/t12-;/m1./s1
InChIKeyODTSLRKZCYPBHC-UTONKHPSSA-N
XLogP3.47
TPSA109.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.81
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-(methoxymethyl)pyridine-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-4-(3-phenylmorpholin-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137650313
methyl 5-[[2-methyl-5-[(5-methylpyridine-3-carbonyl)amino]phenyl]methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 76903275
methyl 5-[[2-methyl-5-[(2-methylpyridine-4-carbonyl)amino]phenyl]methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 76903460
methyl 3-[[4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate
CID 122189167
Methyl 1-benzyl-5-(cyclohexylmethylamino)-3-(pyridine-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate
CID 26228669
methyl 5-[(2-bromobenzoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 46866422
5-{5-Methyl-2-[(pyridin-4-ylmethyl)-carbamoyl]-3H-imidazol-4-yl}-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid ethyl ester
CID 66989117
US8785489, ethyl 5-{5-methyl-2-[(pyridin-4-ylmethyl)carbamoyl]-1H-imidazol-4-yl}-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
CID 66989565
methyl 5-[(2-bromophenyl)methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 89899386
methyl 5-(1H-pyrrolo[2,3-b]pyridin-5-ylmethylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 89899405
methyl 5-[(1-ethyl-4-piperidinyl)amino]-1-isobutyl-3-[(phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 26137941
methyl 5-[[5-[[2-(2-bromophenyl)acetyl]amino]-2-methylphenyl]methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 76902897

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-(methoxymethyl)pyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-(methoxymethyl)pyridine-2-carboxamide;hydrochloride (CID 141253997) is N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-(methoxymethyl)pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-(methoxymethyl)pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-(methoxymethyl)pyridine-2-carboxamide;hydrochloride is COCc1cccc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCC[C@@H](N)C4)c23)n1.Cl.
What is the InChIKey of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-(methoxymethyl)pyridine-2-carboxamide;hydrochloride?
The InChIKey is ODTSLRKZCYPBHC-UTONKHPSSA-N. The full InChI is InChI=1S/C20H23BrN6O2.ClH/c1-29-11-13-5-2-6-15(25-13)20(28)26-16-9-24-19-17(16)18(14(21)8-23-19)27-7-3-4-12(22)10-27;/h2,5-6,8-9,12H,3-4,7,10-11,22H2,1H3,(H,23,24)(H,26,28);1H/t12-;/m1./s1.
What are the key properties of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-(methoxymethyl)pyridine-2-carboxamide;hydrochloride?
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-(methoxymethyl)pyridine-2-carboxamide;hydrochloride has a molecular weight of 495.81 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-(methoxymethyl)pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 141253997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).