2-[3-[3,5-difluoro-6-[(4-fluoropiperidin-3-yl)amino]-2-pyridinyl]-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]propan-2-ol

C20H23F3N6O2 — CID 171505554

IUPAC2-[3-[3,5-difluoro-6-[(4-fluoropiperidin-3-yl)amino]-2-pyridinyl]-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]propan-2-ol
SMILESCOc1cn2ncc(-c3nc(NC4CNCCC4F)c(F)cc3F)c2nc1C(C)(C)O
InChIInChI=1S/C20H23F3N6O2/c1-20(2,30)17-15(31-3)9-29-19(28-17)10(7-25-29)16-12(22)6-13(23)18(27-16)26-14-8-24-5-4-11(14)21/h6-7,9,11,14,24,30H,4-5,8H2,1-3H3,(H,26,27)
InChIKeyXVBGONHYCSQBEV-UHFFFAOYSA-N
MW436.44 g/mol
LogP2.42
Rot. Bonds5

About 2-[3-[3,5-difluoro-6-[(4-fluoropiperidin-3-yl)amino]-2-pyridinyl]-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]propan-2-ol

2-[3-[3,5-difluoro-6-[(4-fluoropiperidin-3-yl)amino]-2-pyridinyl]-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]propan-2-ol (PubChem CID 171505554) has the molecular formula C20H23F3N6O2 and a molecular weight of 436.44 g/mol. Its IUPAC name is 2-[3-[3,5-difluoro-6-[(4-fluoropiperidin-3-yl)amino]-2-pyridinyl]-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[3,5-difluoro-6-[(4-fluoropiperidin-3-yl)amino]-2-pyridinyl]-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]propan-2-ol
PubChem CID171505554
Molecular FormulaC20H23F3N6O2
Molecular Weight436.44 g/mol
Exact Mass436.18
IUPAC Name2-[3-[3,5-difluoro-6-[(4-fluoropiperidin-3-yl)amino]-2-pyridinyl]-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]propan-2-ol
SMILESCOc1cn2ncc(-c3nc(NC4CNCCC4F)c(F)cc3F)c2nc1C(C)(C)O
InChIInChI=1S/C20H23F3N6O2/c1-20(2,30)17-15(31-3)9-29-19(28-17)10(7-25-29)16-12(22)6-13(23)18(27-16)26-14-8-24-5-4-11(14)21/h6-7,9,11,14,24,30H,4-5,8H2,1-3H3,(H,26,27)
InChIKeyXVBGONHYCSQBEV-UHFFFAOYSA-N
XLogP2.42
TPSA96.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[3-[3,5-difluoro-6-[(4-fluoropiperidin-3-yl)amino]-2-pyridinyl]-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]propan-2-ol with MolForge

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Related Compounds

2-[3-[5-fluoro-2-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]propan-2-ol
CID 171505727
6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine
CID 171505712
(2S)-2-[3-[3,5-difluoro-6-[[(3R,4R)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol
CID 177159627
2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol
CID 167137149
5-fluoro-2-[[(3R,4R)-4-fluoropiperidin-3-yl]amino]-6-[6-(2-hydroxypropan-2-yl)-7-methoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile
CID 177159618
6-[6-(1-bicyclo[1.1.1]pentanyl)-7-methoxyimidazo[1,2-b]pyridazin-3-yl]-3,5-difluoro-N-[(4S)-4-fluoropiperidin-3-yl]pyridin-2-amine
CID 170631281
6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropiperidin-3-yl)pyridin-2-amine
CID 170630933
6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3-fluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine
CID 171505626
4-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-5-fluoro-N-(4-fluoropyrrolidin-3-yl)pyrimidin-2-amine
CID 171505733
2-[3-[3,5-difluoro-6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol
CID 170631006
2-[3-[3,5-difluoro-6-(pyrrolidin-3-ylamino)-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 166961812
6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-5-fluoro-N-piperidin-3-ylpyridin-2-amine
CID 171505735

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-difluoro-6-[(4-fluoropiperidin-3-yl)amino]-2-pyridinyl]-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]propan-2-ol?
The IUPAC name of 2-[3-[3,5-difluoro-6-[(4-fluoropiperidin-3-yl)amino]-2-pyridinyl]-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]propan-2-ol (CID 171505554) is 2-[3-[3,5-difluoro-6-[(4-fluoropiperidin-3-yl)amino]-2-pyridinyl]-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[3,5-difluoro-6-[(4-fluoropiperidin-3-yl)amino]-2-pyridinyl]-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]propan-2-ol?
The canonical SMILES for 2-[3-[3,5-difluoro-6-[(4-fluoropiperidin-3-yl)amino]-2-pyridinyl]-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]propan-2-ol is COc1cn2ncc(-c3nc(NC4CNCCC4F)c(F)cc3F)c2nc1C(C)(C)O.
What is the InChIKey of 2-[3-[3,5-difluoro-6-[(4-fluoropiperidin-3-yl)amino]-2-pyridinyl]-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]propan-2-ol?
The InChIKey is XVBGONHYCSQBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N6O2/c1-20(2,30)17-15(31-3)9-29-19(28-17)10(7-25-29)16-12(22)6-13(23)18(27-16)26-14-8-24-5-4-11(14)21/h6-7,9,11,14,24,30H,4-5,8H2,1-3H3,(H,26,27).
What are the key properties of 2-[3-[3,5-difluoro-6-[(4-fluoropiperidin-3-yl)amino]-2-pyridinyl]-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]propan-2-ol?
2-[3-[3,5-difluoro-6-[(4-fluoropiperidin-3-yl)amino]-2-pyridinyl]-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]propan-2-ol has a molecular weight of 436.44 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,5-difluoro-6-[(4-fluoropiperidin-3-yl)amino]-2-pyridinyl]-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]propan-2-ol is sourced from PubChem (CID 171505554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).