5-(3-chloro-4-methoxyphenyl)-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine

C19H21ClN4O — CID 156781520

IUPAC5-(3-chloro-4-methoxyphenyl)-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCOc1ccc(-c2cnc3[nH]ccc3c2NC2CCCNC2)cc1Cl
InChIInChI=1S/C19H21ClN4O/c1-25-17-5-4-12(9-16(17)20)15-11-23-19-14(6-8-22-19)18(15)24-13-3-2-7-21-10-13/h4-6,8-9,11,13,21H,2-3,7,10H2,1H3,(H2,22,23,24)
InChIKeyZQAAASSBBVDCLY-UHFFFAOYSA-N
MW356.86 g/mol
LogP4.06
Rot. Bonds4

About 5-(3-chloro-4-methoxyphenyl)-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine

5-(3-chloro-4-methoxyphenyl)-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 156781520) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyphenyl)-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyphenyl)-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID156781520
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name5-(3-chloro-4-methoxyphenyl)-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCOc1ccc(-c2cnc3[nH]ccc3c2NC2CCCNC2)cc1Cl
InChIInChI=1S/C19H21ClN4O/c1-25-17-5-4-12(9-16(17)20)15-11-23-19-14(6-8-22-19)18(15)24-13-3-2-7-21-10-13/h4-6,8-9,11,13,21H,2-3,7,10H2,1H3,(H2,22,23,24)
InChIKeyZQAAASSBBVDCLY-UHFFFAOYSA-N
XLogP4.06
TPSA61.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(3-chloro-4-methoxyphenyl)-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine with MolForge

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Related Compounds

5-bromo-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 155253895
N-[(3S)-pyrrolidin-3-yl]-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 155466084
N-cyclohexyl-5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 156781531
4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 138595531
2-methoxyethyl 4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;hydrochloride
CID 158558177
4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67518186
4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride
CID 138595405
ethyl 4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;dihydrochloride
CID 163229869
N-(4-chloro-3-methoxyphenyl)piperidin-3-amine
CID 107621326
N-cyclohexyl-5-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 156781533
5-[2-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 155254037
7-(3-chloro-4-methoxyphenyl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113390

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyphenyl)-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 5-(3-chloro-4-methoxyphenyl)-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 156781520) is 5-(3-chloro-4-methoxyphenyl)-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 5-(3-chloro-4-methoxyphenyl)-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 5-(3-chloro-4-methoxyphenyl)-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine is COc1ccc(-c2cnc3[nH]ccc3c2NC2CCCNC2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methoxyphenyl)-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is ZQAAASSBBVDCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c1-25-17-5-4-12(9-16(17)20)15-11-23-19-14(6-8-22-19)18(15)24-13-3-2-7-21-10-13/h4-6,8-9,11,13,21H,2-3,7,10H2,1H3,(H2,22,23,24).
What are the key properties of 5-(3-chloro-4-methoxyphenyl)-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine?
5-(3-chloro-4-methoxyphenyl)-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 356.86 g/mol, XLogP of 4.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxyphenyl)-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 156781520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).