(4-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridin-7-yl)-piperidin-1-ylmethanone

C14H16ClN3O — CID 91443486

IUPAC(4-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridin-7-yl)-piperidin-1-ylmethanone
SMILESCc1nc(Cl)c2cc[nH]c2c1C(=O)N1CCCCC1
InChIInChI=1S/C14H16ClN3O/c1-9-11(14(19)18-7-3-2-4-8-18)12-10(5-6-16-12)13(15)17-9/h5-6,16H,2-4,7-8H2,1H3
InChIKeyHQLDAVGEGIIECH-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.15
Rot. Bonds1

About (4-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridin-7-yl)-piperidin-1-ylmethanone

(4-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridin-7-yl)-piperidin-1-ylmethanone (PubChem CID 91443486) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is (4-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridin-7-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridin-7-yl)-piperidin-1-ylmethanone
PubChem CID91443486
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name(4-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridin-7-yl)-piperidin-1-ylmethanone
SMILESCc1nc(Cl)c2cc[nH]c2c1C(=O)N1CCCCC1
InChIInChI=1S/C14H16ClN3O/c1-9-11(14(19)18-7-3-2-4-8-18)12-10(5-6-16-12)13(15)17-9/h5-6,16H,2-4,7-8H2,1H3
InChIKeyHQLDAVGEGIIECH-UHFFFAOYSA-N
XLogP3.15
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

azepan-1-yl-(2,6-dichlorophenyl)methanone
CID 644555
(6-chloro-2-methyl-3-pyridinyl)-piperidin-1-ylmethanone
CID 168678066
(3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110755240
azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone
CID 60924601
(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 64591148
(2,6-dichlorophenyl)-[4-(1H-indol-4-yl)piperazin-1-yl]methanone
CID 2802639
4-(4-chlorophenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332289
1-[4-(7-chloro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
CID 110850320
azepan-1-yl-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 1070129
(6-chloro-2-methyl-1H-benzimidazol-4-yl)-pyrrolidin-1-ylmethanone
CID 155961405
(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone
CID 1121352
1,4-diazepan-1-yl-(2,6-dichlorophenyl)methanone;hydrochloride
CID 119417664

Frequently Asked Questions

What is the IUPAC name of (4-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridin-7-yl)-piperidin-1-ylmethanone?
The IUPAC name of (4-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridin-7-yl)-piperidin-1-ylmethanone (CID 91443486) is (4-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridin-7-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridin-7-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridin-7-yl)-piperidin-1-ylmethanone is Cc1nc(Cl)c2cc[nH]c2c1C(=O)N1CCCCC1.
What is the InChIKey of (4-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridin-7-yl)-piperidin-1-ylmethanone?
The InChIKey is HQLDAVGEGIIECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9-11(14(19)18-7-3-2-4-8-18)12-10(5-6-16-12)13(15)17-9/h5-6,16H,2-4,7-8H2,1H3.
What are the key properties of (4-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridin-7-yl)-piperidin-1-ylmethanone?
(4-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridin-7-yl)-piperidin-1-ylmethanone has a molecular weight of 277.75 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridin-7-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 91443486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).