2-[[4-(4-chloropyrazol-1-yl)piperidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine

C16H18ClN5 — CID 166361132

IUPAC2-[[4-(4-chloropyrazol-1-yl)piperidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine
SMILESClc1cnn(C2CCN(Cc3cc4cnccc4[nH]3)CC2)c1
InChIInChI=1S/C16H18ClN5/c17-13-9-19-22(10-13)15-2-5-21(6-3-15)11-14-7-12-8-18-4-1-16(12)20-14/h1,4,7-10,15,20H,2-3,5-6,11H2
InChIKeyMGCBARYASJRIQD-UHFFFAOYSA-N
MW315.81 g/mol
LogP3.25
Rot. Bonds3

About 2-[[4-(4-chloropyrazol-1-yl)piperidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine

2-[[4-(4-chloropyrazol-1-yl)piperidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine (PubChem CID 166361132) has the molecular formula C16H18ClN5 and a molecular weight of 315.81 g/mol. Its IUPAC name is 2-[[4-(4-chloropyrazol-1-yl)piperidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2-[[4-(4-chloropyrazol-1-yl)piperidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine
PubChem CID166361132
Molecular FormulaC16H18ClN5
Molecular Weight315.81 g/mol
Exact Mass315.13
IUPAC Name2-[[4-(4-chloropyrazol-1-yl)piperidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine
SMILESClc1cnn(C2CCN(Cc3cc4cnccc4[nH]3)CC2)c1
InChIInChI=1S/C16H18ClN5/c17-13-9-19-22(10-13)15-2-5-21(6-3-15)11-14-7-12-8-18-4-1-16(12)20-14/h1,4,7-10,15,20H,2-3,5-6,11H2
InChIKeyMGCBARYASJRIQD-UHFFFAOYSA-N
XLogP3.25
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.81
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(pyrrolidin-1-ylmethyl)-1H-indole
CID 117176612
4-chloro-1-(oxan-4-yl)pyrazole
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1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 154868871
1-(3-chlorophenyl)-2-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]ethanol
CID 110019592
5-chloro-2-(piperidin-1-ylmethyl)-1H-indole
CID 117176618
4-(4-chloropyrazol-1-yl)piperidine;hydrochloride
CID 71758511
4-chloro-1-[(3S)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]pyrazole
CID 164639856
(E)-3-(4-bromothiophen-2-yl)-1-[4-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 139904197
(3S)-4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-(methoxymethyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazine-2-carbaldehyde
CID 174452098
2-[[2-(methoxymethyl)piperazin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine
CID 91108546
(2S)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-3-methoxypropan-2-ol
CID 110019591
2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole
CID 76995991

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chloropyrazol-1-yl)piperidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 2-[[4-(4-chloropyrazol-1-yl)piperidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine (CID 166361132) is 2-[[4-(4-chloropyrazol-1-yl)piperidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2-[[4-(4-chloropyrazol-1-yl)piperidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 2-[[4-(4-chloropyrazol-1-yl)piperidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine is Clc1cnn(C2CCN(Cc3cc4cnccc4[nH]3)CC2)c1.
What is the InChIKey of 2-[[4-(4-chloropyrazol-1-yl)piperidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is MGCBARYASJRIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5/c17-13-9-19-22(10-13)15-2-5-21(6-3-15)11-14-7-12-8-18-4-1-16(12)20-14/h1,4,7-10,15,20H,2-3,5-6,11H2.
What are the key properties of 2-[[4-(4-chloropyrazol-1-yl)piperidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine?
2-[[4-(4-chloropyrazol-1-yl)piperidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 315.81 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chloropyrazol-1-yl)piperidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 166361132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).