6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile

C12H10N6 — CID 164564729

IUPAC6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile
SMILESCn1cc(Nc2cc3[nH]c(C#N)cc3cn2)cn1
InChIInChI=1S/C12H10N6/c1-18-7-10(6-15-18)17-12-3-11-8(5-14-12)2-9(4-13)16-11/h2-3,5-7,16H,1H3,(H,14,17)
InChIKeyJAHHYMWYCOMYLM-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.91
Rot. Bonds2

About 6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile

6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile (PubChem CID 164564729) has the molecular formula C12H10N6 and a molecular weight of 238.25 g/mol. Its IUPAC name is 6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile
PubChem CID164564729
Molecular FormulaC12H10N6
Molecular Weight238.25 g/mol
Exact Mass238.10
IUPAC Name6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile
SMILESCn1cc(Nc2cc3[nH]c(C#N)cc3cn2)cn1
InChIInChI=1S/C12H10N6/c1-18-7-10(6-15-18)17-12-3-11-8(5-14-12)2-9(4-13)16-11/h2-3,5-7,16H,1H3,(H,14,17)
InChIKeyJAHHYMWYCOMYLM-UHFFFAOYSA-N
XLogP1.91
TPSA82.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-methylpyrazol-4-yl)amino]pyridine-2-carbonitrile
CID 62926735
3-fluoro-5-[(1-methylpyrazol-4-yl)amino]benzonitrile
CID 102815375
5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid
CID 114919233
3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenol
CID 118930200
2-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60968717
6-(4-aminopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 151937131
2-ethyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine
CID 80941799
6-bromo-N-(1-methylpyrazol-4-yl)quinazolin-2-amine
CID 155777536
CID 163924279
CID 163924279
2-[[1-methyl-3-(oxetan-3-yloxy)pyrazol-4-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carbonitrile
CID 166528178
N-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 66548649
2-methoxy-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]pyridine-3-carbonitrile
CID 166882333

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile?
The IUPAC name of 6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile (CID 164564729) is 6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile is Cn1cc(Nc2cc3[nH]c(C#N)cc3cn2)cn1.
What is the InChIKey of 6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile?
The InChIKey is JAHHYMWYCOMYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6/c1-18-7-10(6-15-18)17-12-3-11-8(5-14-12)2-9(4-13)16-11/h2-3,5-7,16H,1H3,(H,14,17).
What are the key properties of 6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile?
6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile has a molecular weight of 238.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile is sourced from PubChem (CID 164564729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).