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

C22H24N6O — CID 154653820

IUPAC1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
SMILESO=c1ccccn1-c1ccc(N[C@H]2CC[C@H](Nc3ncc(C4CC4)cn3)C2)nc1
InChIInChI=1S/C22H24N6O/c29-21-3-1-2-10-28(21)19-8-9-20(23-14-19)26-17-6-7-18(11-17)27-22-24-12-16(13-25-22)15-4-5-15/h1-3,8-10,12-15,17-18H,4-7,11H2,(H,23,26)(H,24,25,27)/t17-,18-/m0/s1
InChIKeyWSEPMXYCJDITKB-ROUUACIJSA-N
MW388.48 g/mol
LogP3.35
Rot. Bonds6

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

1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one (PubChem CID 154653820) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
PubChem CID154653820
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
SMILESO=c1ccccn1-c1ccc(N[C@H]2CC[C@H](Nc3ncc(C4CC4)cn3)C2)nc1
InChIInChI=1S/C22H24N6O/c29-21-3-1-2-10-28(21)19-8-9-20(23-14-19)26-17-6-7-18(11-17)27-22-24-12-16(13-25-22)15-4-5-15/h1-3,8-10,12-15,17-18H,4-7,11H2,(H,23,26)(H,24,25,27)/t17-,18-/m0/s1
InChIKeyWSEPMXYCJDITKB-ROUUACIJSA-N
XLogP3.35
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one?
The IUPAC name of 1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one (CID 154653820) is 1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one.
What is the SMILES notation for 1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one?
The canonical SMILES for 1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one is O=c1ccccn1-c1ccc(N[C@H]2CC[C@H](Nc3ncc(C4CC4)cn3)C2)nc1.
What is the InChIKey of 1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one?
The InChIKey is WSEPMXYCJDITKB-ROUUACIJSA-N. The full InChI is InChI=1S/C22H24N6O/c29-21-3-1-2-10-28(21)19-8-9-20(23-14-19)26-17-6-7-18(11-17)27-22-24-12-16(13-25-22)15-4-5-15/h1-3,8-10,12-15,17-18H,4-7,11H2,(H,23,26)(H,24,25,27)/t17-,18-/m0/s1.
What are the key properties of 1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one?
1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one has a molecular weight of 388.48 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one is sourced from PubChem (CID 154653820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).