4-[1-[5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethenylamino]cyclohexan-1-ol

C24H29FN6O — CID 129075357

IUPAC4-[1-[5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethenylamino]cyclohexan-1-ol
SMILESC=C(NC1CCC(O)CC1)c1cnn2ccc(N3CCCC3c3cc(F)cnc3C)nc12
InChIInChI=1S/C24H29FN6O/c1-15-20(12-17(25)13-26-15)22-4-3-10-30(22)23-9-11-31-24(29-23)21(14-27-31)16(2)28-18-5-7-19(32)8-6-18/h9,11-14,18-19,22,28,32H,2-8,10H2,1H3
InChIKeyYANPELAXVBFZIY-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.78
Rot. Bonds5

About 4-[1-[5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethenylamino]cyclohexan-1-ol

4-[1-[5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethenylamino]cyclohexan-1-ol (PubChem CID 129075357) has the molecular formula C24H29FN6O and a molecular weight of 436.54 g/mol. Its IUPAC name is 4-[1-[5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethenylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[1-[5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethenylamino]cyclohexan-1-ol
PubChem CID129075357
Molecular FormulaC24H29FN6O
Molecular Weight436.54 g/mol
Exact Mass436.24
IUPAC Name4-[1-[5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethenylamino]cyclohexan-1-ol
SMILESC=C(NC1CCC(O)CC1)c1cnn2ccc(N3CCCC3c3cc(F)cnc3C)nc12
InChIInChI=1S/C24H29FN6O/c1-15-20(12-17(25)13-26-15)22-4-3-10-30(22)23-9-11-31-24(29-23)21(14-27-31)16(2)28-18-5-7-19(32)8-6-18/h9,11-14,18-19,22,28,32H,2-8,10H2,1H3
InChIKeyYANPELAXVBFZIY-UHFFFAOYSA-N
XLogP3.78
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethenylamino]cyclohexan-1-ol?
The IUPAC name of 4-[1-[5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethenylamino]cyclohexan-1-ol (CID 129075357) is 4-[1-[5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethenylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[1-[5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethenylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[1-[5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethenylamino]cyclohexan-1-ol is C=C(NC1CCC(O)CC1)c1cnn2ccc(N3CCCC3c3cc(F)cnc3C)nc12.
What is the InChIKey of 4-[1-[5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethenylamino]cyclohexan-1-ol?
The InChIKey is YANPELAXVBFZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O/c1-15-20(12-17(25)13-26-15)22-4-3-10-30(22)23-9-11-31-24(29-23)21(14-27-31)16(2)28-18-5-7-19(32)8-6-18/h9,11-14,18-19,22,28,32H,2-8,10H2,1H3.
What are the key properties of 4-[1-[5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethenylamino]cyclohexan-1-ol?
4-[1-[5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethenylamino]cyclohexan-1-ol has a molecular weight of 436.54 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethenylamino]cyclohexan-1-ol is sourced from PubChem (CID 129075357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).