4-(3-fluoroazetidin-1-yl)-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one

C28H31FN8O2 — CID 167569517

IUPAC4-(3-fluoroazetidin-1-yl)-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one
SMILESCOc1nc(-c2ccnc(Cc3ccc(N4CCC(N5CC(F)C5)CC4=O)cn3)n2)cc2c1ncn2C(C)C
InChIInChI=1S/C28H31FN8O2/c1-17(2)37-16-32-27-24(37)12-23(34-28(27)39-3)22-6-8-30-25(33-22)10-19-4-5-21(13-31-19)36-9-7-20(11-26(36)38)35-14-18(29)15-35/h4-6,8,12-13,16-18,20H,7,9-11,14-15H2,1-3H3
InChIKeyFSKJTJAKEXKZQY-UHFFFAOYSA-N
MW530.61 g/mol
LogP3.61
Rot. Bonds7

About 4-(3-fluoroazetidin-1-yl)-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one

4-(3-fluoroazetidin-1-yl)-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one (PubChem CID 167569517) has the molecular formula C28H31FN8O2 and a molecular weight of 530.61 g/mol. Its IUPAC name is 4-(3-fluoroazetidin-1-yl)-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one.

Molecular Properties

Compound Name4-(3-fluoroazetidin-1-yl)-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one
PubChem CID167569517
Molecular FormulaC28H31FN8O2
Molecular Weight530.61 g/mol
Exact Mass530.26
IUPAC Name4-(3-fluoroazetidin-1-yl)-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one
SMILESCOc1nc(-c2ccnc(Cc3ccc(N4CCC(N5CC(F)C5)CC4=O)cn3)n2)cc2c1ncn2C(C)C
InChIInChI=1S/C28H31FN8O2/c1-17(2)37-16-32-27-24(37)12-23(34-28(27)39-3)22-6-8-30-25(33-22)10-19-4-5-21(13-31-19)36-9-7-20(11-26(36)38)35-14-18(29)15-35/h4-6,8,12-13,16-18,20H,7,9-11,14-15H2,1-3H3
InChIKeyFSKJTJAKEXKZQY-UHFFFAOYSA-N
XLogP3.61
TPSA102.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.61
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-(3-fluoroazetidin-1-yl)-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroazetidin-1-yl)-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one?
The IUPAC name of 4-(3-fluoroazetidin-1-yl)-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one (CID 167569517) is 4-(3-fluoroazetidin-1-yl)-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one.
What is the SMILES notation for 4-(3-fluoroazetidin-1-yl)-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one?
The canonical SMILES for 4-(3-fluoroazetidin-1-yl)-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one is COc1nc(-c2ccnc(Cc3ccc(N4CCC(N5CC(F)C5)CC4=O)cn3)n2)cc2c1ncn2C(C)C.
What is the InChIKey of 4-(3-fluoroazetidin-1-yl)-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one?
The InChIKey is FSKJTJAKEXKZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN8O2/c1-17(2)37-16-32-27-24(37)12-23(34-28(27)39-3)22-6-8-30-25(33-22)10-19-4-5-21(13-31-19)36-9-7-20(11-26(36)38)35-14-18(29)15-35/h4-6,8,12-13,16-18,20H,7,9-11,14-15H2,1-3H3.
What are the key properties of 4-(3-fluoroazetidin-1-yl)-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one?
4-(3-fluoroazetidin-1-yl)-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one has a molecular weight of 530.61 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroazetidin-1-yl)-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one is sourced from PubChem (CID 167569517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).