4-[6-[[5-fluoro-4-(7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one

C25H25FN6O3 — CID 167618755

IUPAC4-[6-[[5-fluoro-4-(7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one
SMILESCOc1cc(-c2nc(Cc3ccc(N4CCOCC4=O)cn3)ncc2F)cc2c(C(C)C)cnn12
InChIInChI=1S/C25H25FN6O3/c1-15(2)19-12-29-32-21(19)8-16(9-24(32)34-3)25-20(26)13-28-22(30-25)10-17-4-5-18(11-27-17)31-6-7-35-14-23(31)33/h4-5,8-9,11-13,15H,6-7,10,14H2,1-3H3
InChIKeyMDBGWJKIDYLCCJ-UHFFFAOYSA-N
MW476.51 g/mol
LogP3.41
Rot. Bonds6

About 4-[6-[[5-fluoro-4-(7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one

4-[6-[[5-fluoro-4-(7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one (PubChem CID 167618755) has the molecular formula C25H25FN6O3 and a molecular weight of 476.51 g/mol. Its IUPAC name is 4-[6-[[5-fluoro-4-(7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one.

Molecular Properties

Compound Name4-[6-[[5-fluoro-4-(7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one
PubChem CID167618755
Molecular FormulaC25H25FN6O3
Molecular Weight476.51 g/mol
Exact Mass476.20
IUPAC Name4-[6-[[5-fluoro-4-(7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one
SMILESCOc1cc(-c2nc(Cc3ccc(N4CCOCC4=O)cn3)ncc2F)cc2c(C(C)C)cnn12
InChIInChI=1S/C25H25FN6O3/c1-15(2)19-12-29-32-21(19)8-16(9-24(32)34-3)25-20(26)13-28-22(30-25)10-17-4-5-18(11-27-17)31-6-7-35-14-23(31)33/h4-5,8-9,11-13,15H,6-7,10,14H2,1-3H3
InChIKeyMDBGWJKIDYLCCJ-UHFFFAOYSA-N
XLogP3.41
TPSA94.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[6-[[5-fluoro-4-(7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one with MolForge

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Related Compounds

4-[3-fluoro-4-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]morpholin-3-one
CID 167701246
4-[6-[[4-(3-cyclopentylpyrazolo[1,5-a]pyridin-5-yl)-5-fluoropyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one
CID 167641047
4-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]-1-(2-hydroxyethyl)-1,4-diazepan-5-one
CID 167677953
4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one
CID 167605122
8-fluoro-6-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine
CID 158116281
4-[6-[[5-fluoro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]-1,4-diazepan-5-one
CID 167655642
5-(2-chloro-5-fluoropyrimidin-4-yl)-7-methyl-3-propan-2-ylpyrazolo[1,5-a]pyridine
CID 155281833
methane;4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4S)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4R)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;methyl thiohypofluorite
CID 167657680
4-cyclobutyl-1-[6-[[5-fluoro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one
CID 167643832
5-[2-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-pyridinyl]methyl]-5-fluoropyrimidin-4-yl]-3-propan-2-ylpyrazolo[1,5-a]pyridine
CID 167554912
4-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one
CID 155282347
2,8-difluoro-6-[5-fluoro-2-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine
CID 158947227

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[5-fluoro-4-(7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one?
The IUPAC name of 4-[6-[[5-fluoro-4-(7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one (CID 167618755) is 4-[6-[[5-fluoro-4-(7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one.
What is the SMILES notation for 4-[6-[[5-fluoro-4-(7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one?
The canonical SMILES for 4-[6-[[5-fluoro-4-(7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one is COc1cc(-c2nc(Cc3ccc(N4CCOCC4=O)cn3)ncc2F)cc2c(C(C)C)cnn12.
What is the InChIKey of 4-[6-[[5-fluoro-4-(7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one?
The InChIKey is MDBGWJKIDYLCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O3/c1-15(2)19-12-29-32-21(19)8-16(9-24(32)34-3)25-20(26)13-28-22(30-25)10-17-4-5-18(11-27-17)31-6-7-35-14-23(31)33/h4-5,8-9,11-13,15H,6-7,10,14H2,1-3H3.
What are the key properties of 4-[6-[[5-fluoro-4-(7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one?
4-[6-[[5-fluoro-4-(7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one has a molecular weight of 476.51 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[5-fluoro-4-(7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one is sourced from PubChem (CID 167618755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).