2-[5-fluoro-2-[[5-[4-[1-(2-hydroxypropyl)piperidin-4-yl]piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

C30H39FN8O2 — CID 155203234

IUPAC2-[5-fluoro-2-[[5-[4-[1-(2-hydroxypropyl)piperidin-4-yl]piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCC(O)CN1CCC(C2CCN(c3ccc(Nc4ncc(F)c(-c5cc6c(n5C)CCNC6=O)n4)nc3)CC2)CC1
InChIInChI=1S/C30H39FN8O2/c1-19(40)18-38-11-6-20(7-12-38)21-8-13-39(14-9-21)22-3-4-27(33-16-22)35-30-34-17-24(31)28(36-30)26-15-23-25(37(26)2)5-10-32-29(23)41/h3-4,15-17,19-21,40H,5-14,18H2,1-2H3,(H,32,41)(H,33,34,35,36)
InChIKeyQOUWDQAMLDQRMF-UHFFFAOYSA-N
MW562.69 g/mol
LogP3.35
Rot. Bonds7

About 2-[5-fluoro-2-[[5-[4-[1-(2-hydroxypropyl)piperidin-4-yl]piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

2-[5-fluoro-2-[[5-[4-[1-(2-hydroxypropyl)piperidin-4-yl]piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 155203234) has the molecular formula C30H39FN8O2 and a molecular weight of 562.69 g/mol. Its IUPAC name is 2-[5-fluoro-2-[[5-[4-[1-(2-hydroxypropyl)piperidin-4-yl]piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[5-fluoro-2-[[5-[4-[1-(2-hydroxypropyl)piperidin-4-yl]piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID155203234
Molecular FormulaC30H39FN8O2
Molecular Weight562.69 g/mol
Exact Mass562.32
IUPAC Name2-[5-fluoro-2-[[5-[4-[1-(2-hydroxypropyl)piperidin-4-yl]piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCC(O)CN1CCC(C2CCN(c3ccc(Nc4ncc(F)c(-c5cc6c(n5C)CCNC6=O)n4)nc3)CC2)CC1
InChIInChI=1S/C30H39FN8O2/c1-19(40)18-38-11-6-20(7-12-38)21-8-13-39(14-9-21)22-3-4-27(33-16-22)35-30-34-17-24(31)28(36-30)26-15-23-25(37(26)2)5-10-32-29(23)41/h3-4,15-17,19-21,40H,5-14,18H2,1-2H3,(H,32,41)(H,33,34,35,36)
InChIKeyQOUWDQAMLDQRMF-UHFFFAOYSA-N
XLogP3.35
TPSA111.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.69
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[5-fluoro-2-[[5-[4-[1-(2-hydroxypropyl)piperidin-4-yl]piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[[5-[4-[1-(2-hydroxypropyl)piperidin-4-yl]piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[5-fluoro-2-[[5-[4-[1-(2-hydroxypropyl)piperidin-4-yl]piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 155203234) is 2-[5-fluoro-2-[[5-[4-[1-(2-hydroxypropyl)piperidin-4-yl]piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[5-fluoro-2-[[5-[4-[1-(2-hydroxypropyl)piperidin-4-yl]piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[5-fluoro-2-[[5-[4-[1-(2-hydroxypropyl)piperidin-4-yl]piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is CC(O)CN1CCC(C2CCN(c3ccc(Nc4ncc(F)c(-c5cc6c(n5C)CCNC6=O)n4)nc3)CC2)CC1.
What is the InChIKey of 2-[5-fluoro-2-[[5-[4-[1-(2-hydroxypropyl)piperidin-4-yl]piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is QOUWDQAMLDQRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39FN8O2/c1-19(40)18-38-11-6-20(7-12-38)21-8-13-39(14-9-21)22-3-4-27(33-16-22)35-30-34-17-24(31)28(36-30)26-15-23-25(37(26)2)5-10-32-29(23)41/h3-4,15-17,19-21,40H,5-14,18H2,1-2H3,(H,32,41)(H,33,34,35,36).
What are the key properties of 2-[5-fluoro-2-[[5-[4-[1-(2-hydroxypropyl)piperidin-4-yl]piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
2-[5-fluoro-2-[[5-[4-[1-(2-hydroxypropyl)piperidin-4-yl]piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 562.69 g/mol, XLogP of 3.35, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[[5-[4-[1-(2-hydroxypropyl)piperidin-4-yl]piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 155203234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).