6-[4-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile

C18H20N6O — CID 95590816

IUPAC6-[4-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCn1cc([C@H]2C[C@@H]2C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1
InChIInChI=1S/C18H20N6O/c1-22-12-14(11-21-22)15-8-16(15)18(25)24-6-4-23(5-7-24)17-3-2-13(9-19)10-20-17/h2-3,10-12,15-16H,4-8H2,1H3/t15-,16+/m1/s1
InChIKeyVGVVQXWQZGJALN-CVEARBPZSA-N
MW336.40 g/mol
LogP1.14
Rot. Bonds3

About 6-[4-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile

6-[4-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 95590816) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 6-[4-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID95590816
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name6-[4-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCn1cc([C@H]2C[C@@H]2C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1
InChIInChI=1S/C18H20N6O/c1-22-12-14(11-21-22)15-8-16(15)18(25)24-6-4-23(5-7-24)17-3-2-13(9-19)10-20-17/h2-3,10-12,15-16H,4-8H2,1H3/t15-,16+/m1/s1
InChIKeyVGVVQXWQZGJALN-CVEARBPZSA-N
XLogP1.14
TPSA78.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 133279943
6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 75461915
6-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 56820268
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590798
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 56821659
cis-2-(4-cyanophenoxy)ethyl (1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylate
CID 96523818
(4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590738
(4-cyclopentylpiperazin-1-yl)-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590740
6-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171492679
[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95590745
6-[4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110645072
[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 95590974

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 95590816) is 6-[4-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile is Cn1cc([C@H]2C[C@@H]2C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1.
What is the InChIKey of 6-[4-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is VGVVQXWQZGJALN-CVEARBPZSA-N. The full InChI is InChI=1S/C18H20N6O/c1-22-12-14(11-21-22)15-8-16(15)18(25)24-6-4-23(5-7-24)17-3-2-13(9-19)10-20-17/h2-3,10-12,15-16H,4-8H2,1H3/t15-,16+/m1/s1.
What are the key properties of 6-[4-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 336.40 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 95590816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).