1-[4-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-4-pyrrolidin-1-ylpentan-1-one

C24H34N6O — CID 110094244

IUPAC1-[4-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-4-pyrrolidin-1-ylpentan-1-one
SMILESCc1cccnc1Nc1cncc(C2CCN(C(=O)CCC(C)N3CCCC3)CC2)n1
InChIInChI=1S/C24H34N6O/c1-18-6-5-11-26-24(18)28-22-17-25-16-21(27-22)20-9-14-30(15-10-20)23(31)8-7-19(2)29-12-3-4-13-29/h5-6,11,16-17,19-20H,3-4,7-10,12-15H2,1-2H3,(H,26,27,28)
InChIKeyVHYNQOUDCQAQGB-UHFFFAOYSA-N
MW422.58 g/mol
LogP3.89
Rot. Bonds7

About 1-[4-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-4-pyrrolidin-1-ylpentan-1-one

1-[4-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-4-pyrrolidin-1-ylpentan-1-one (PubChem CID 110094244) has the molecular formula C24H34N6O and a molecular weight of 422.58 g/mol. Its IUPAC name is 1-[4-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-4-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name1-[4-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-4-pyrrolidin-1-ylpentan-1-one
PubChem CID110094244
Molecular FormulaC24H34N6O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC Name1-[4-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-4-pyrrolidin-1-ylpentan-1-one
SMILESCc1cccnc1Nc1cncc(C2CCN(C(=O)CCC(C)N3CCCC3)CC2)n1
InChIInChI=1S/C24H34N6O/c1-18-6-5-11-26-24(18)28-22-17-25-16-21(27-22)20-9-14-30(15-10-20)23(31)8-7-19(2)29-12-3-4-13-29/h5-6,11,16-17,19-20H,3-4,7-10,12-15H2,1-2H3,(H,26,27,28)
InChIKeyVHYNQOUDCQAQGB-UHFFFAOYSA-N
XLogP3.89
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-4-pyrrolidin-1-ylpentan-1-one with MolForge

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Related Compounds

N-(3-methyl-2-pyridinyl)-6-[(3S)-piperidin-3-yl]pyrazin-2-amine
CID 125024879
2-methoxy-1-[(3R)-3-[2-methyl-6-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124969001
1-(4-methylpiperidin-1-yl)-2-[4-[6-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110094098
2-methoxy-1-[(3S)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124962657
4-morpholin-4-yl-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one
CID 91830644
1-[(3R)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124999663
2-(1-hydroxycyclohexyl)-1-[(3S)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone
CID 124997525
[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 124970955
1-[4-[2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
CID 95828285
2-methoxy-1-[(2S)-2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835160
2-(2,6-dimethylanilino)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110109850
6-methyl-N-(3-methyl-2-pyridinyl)-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-4-amine
CID 95842210

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-4-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of 1-[4-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-4-pyrrolidin-1-ylpentan-1-one (CID 110094244) is 1-[4-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-4-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for 1-[4-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-4-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for 1-[4-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-4-pyrrolidin-1-ylpentan-1-one is Cc1cccnc1Nc1cncc(C2CCN(C(=O)CCC(C)N3CCCC3)CC2)n1.
What is the InChIKey of 1-[4-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-4-pyrrolidin-1-ylpentan-1-one?
The InChIKey is VHYNQOUDCQAQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O/c1-18-6-5-11-26-24(18)28-22-17-25-16-21(27-22)20-9-14-30(15-10-20)23(31)8-7-19(2)29-12-3-4-13-29/h5-6,11,16-17,19-20H,3-4,7-10,12-15H2,1-2H3,(H,26,27,28).
What are the key properties of 1-[4-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-4-pyrrolidin-1-ylpentan-1-one?
1-[4-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-4-pyrrolidin-1-ylpentan-1-one has a molecular weight of 422.58 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-4-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 110094244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).