1-[6-[[(1S,3S)-3-[(5-methylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)pyridin-2-one

C24H26N8O — CID 171100734

IUPAC1-[6-[[(1S,3S)-3-[(5-methylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)pyridin-2-one
SMILESCc1cnc(N[C@H]2CC[C@H](Nc3ccc(-n4cccc(-c5cnn(C)c5)c4=O)cn3)C2)cn1
InChIInChI=1S/C24H26N8O/c1-16-11-26-23(14-25-16)30-19-6-5-18(10-19)29-22-8-7-20(13-27-22)32-9-3-4-21(24(32)33)17-12-28-31(2)15-17/h3-4,7-9,11-15,18-19H,5-6,10H2,1-2H3,(H,26,30)(H,27,29)/t18-,19-/m0/s1
InChIKeyOYKNMPCYHYYSOP-OALUTQOASA-N
MW442.53 g/mol
LogP3.18
Rot. Bonds6

About 1-[6-[[(1S,3S)-3-[(5-methylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)pyridin-2-one

1-[6-[[(1S,3S)-3-[(5-methylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)pyridin-2-one (PubChem CID 171100734) has the molecular formula C24H26N8O and a molecular weight of 442.53 g/mol. Its IUPAC name is 1-[6-[[(1S,3S)-3-[(5-methylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[6-[[(1S,3S)-3-[(5-methylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)pyridin-2-one
PubChem CID171100734
Molecular FormulaC24H26N8O
Molecular Weight442.53 g/mol
Exact Mass442.22
IUPAC Name1-[6-[[(1S,3S)-3-[(5-methylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)pyridin-2-one
SMILESCc1cnc(N[C@H]2CC[C@H](Nc3ccc(-n4cccc(-c5cnn(C)c5)c4=O)cn3)C2)cn1
InChIInChI=1S/C24H26N8O/c1-16-11-26-23(14-25-16)30-19-6-5-18(10-19)29-22-8-7-20(13-27-22)32-9-3-4-21(24(32)33)17-12-28-31(2)15-17/h3-4,7-9,11-15,18-19H,5-6,10H2,1-2H3,(H,26,30)(H,27,29)/t18-,19-/m0/s1
InChIKeyOYKNMPCYHYYSOP-OALUTQOASA-N
XLogP3.18
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[(1S,3S)-3-[(5-methylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)pyridin-2-one?
The IUPAC name of 1-[6-[[(1S,3S)-3-[(5-methylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)pyridin-2-one (CID 171100734) is 1-[6-[[(1S,3S)-3-[(5-methylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)pyridin-2-one.
What is the SMILES notation for 1-[6-[[(1S,3S)-3-[(5-methylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)pyridin-2-one?
The canonical SMILES for 1-[6-[[(1S,3S)-3-[(5-methylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)pyridin-2-one is Cc1cnc(N[C@H]2CC[C@H](Nc3ccc(-n4cccc(-c5cnn(C)c5)c4=O)cn3)C2)cn1.
What is the InChIKey of 1-[6-[[(1S,3S)-3-[(5-methylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)pyridin-2-one?
The InChIKey is OYKNMPCYHYYSOP-OALUTQOASA-N. The full InChI is InChI=1S/C24H26N8O/c1-16-11-26-23(14-25-16)30-19-6-5-18(10-19)29-22-8-7-20(13-27-22)32-9-3-4-21(24(32)33)17-12-28-31(2)15-17/h3-4,7-9,11-15,18-19H,5-6,10H2,1-2H3,(H,26,30)(H,27,29)/t18-,19-/m0/s1.
What are the key properties of 1-[6-[[(1S,3S)-3-[(5-methylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)pyridin-2-one?
1-[6-[[(1S,3S)-3-[(5-methylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)pyridin-2-one has a molecular weight of 442.53 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[(1S,3S)-3-[(5-methylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)pyridin-2-one is sourced from PubChem (CID 171100734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).