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

C22H23FN6O — CID 154653620

IUPAC1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-5-fluoro-3-pyridinyl]pyridin-2-one
SMILESO=c1ccccn1-c1cnc(N[C@H]2CC[C@H](Nc3ncc(C4CC4)cn3)C2)c(F)c1
InChIInChI=1S/C22H23FN6O/c23-19-10-18(29-8-2-1-3-20(29)30)13-24-21(19)27-16-6-7-17(9-16)28-22-25-11-15(12-26-22)14-4-5-14/h1-3,8,10-14,16-17H,4-7,9H2,(H,24,27)(H,25,26,28)/t16-,17-/m0/s1
InChIKeySVAXOAKTLGMXKN-IRXDYDNUSA-N
MW406.47 g/mol
LogP3.48
Rot. Bonds6

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

1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-5-fluoro-3-pyridinyl]pyridin-2-one (PubChem CID 154653620) has the molecular formula C22H23FN6O and a molecular weight of 406.47 g/mol. Its IUPAC name is 1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-5-fluoro-3-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-5-fluoro-3-pyridinyl]pyridin-2-one
PubChem CID154653620
Molecular FormulaC22H23FN6O
Molecular Weight406.47 g/mol
Exact Mass406.19
IUPAC Name1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-5-fluoro-3-pyridinyl]pyridin-2-one
SMILESO=c1ccccn1-c1cnc(N[C@H]2CC[C@H](Nc3ncc(C4CC4)cn3)C2)c(F)c1
InChIInChI=1S/C22H23FN6O/c23-19-10-18(29-8-2-1-3-20(29)30)13-24-21(19)27-16-6-7-17(9-16)28-22-25-11-15(12-26-22)14-4-5-14/h1-3,8,10-14,16-17H,4-7,9H2,(H,24,27)(H,25,26,28)/t16-,17-/m0/s1
InChIKeySVAXOAKTLGMXKN-IRXDYDNUSA-N
XLogP3.48
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.48
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]-5-fluoro-3-pyridinyl]pyridin-2-one?
The IUPAC name of 1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-5-fluoro-3-pyridinyl]pyridin-2-one (CID 154653620) is 1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-5-fluoro-3-pyridinyl]pyridin-2-one.
What is the SMILES notation for 1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-5-fluoro-3-pyridinyl]pyridin-2-one?
The canonical SMILES for 1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-5-fluoro-3-pyridinyl]pyridin-2-one is O=c1ccccn1-c1cnc(N[C@H]2CC[C@H](Nc3ncc(C4CC4)cn3)C2)c(F)c1.
What is the InChIKey of 1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-5-fluoro-3-pyridinyl]pyridin-2-one?
The InChIKey is SVAXOAKTLGMXKN-IRXDYDNUSA-N. The full InChI is InChI=1S/C22H23FN6O/c23-19-10-18(29-8-2-1-3-20(29)30)13-24-21(19)27-16-6-7-17(9-16)28-22-25-11-15(12-26-22)14-4-5-14/h1-3,8,10-14,16-17H,4-7,9H2,(H,24,27)(H,25,26,28)/t16-,17-/m0/s1.
What are the key properties of 1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-5-fluoro-3-pyridinyl]pyridin-2-one?
1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-5-fluoro-3-pyridinyl]pyridin-2-one has a molecular weight of 406.47 g/mol, XLogP of 3.48, 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]-5-fluoro-3-pyridinyl]pyridin-2-one is sourced from PubChem (CID 154653620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).