3-[2-fluoro-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one

C26H24FN7O — CID 161109697

IUPAC3-[2-fluoro-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one
SMILESCn1cc(-c2cc3c(-c4ccc(CCC(=O)c5cc6n(n5)CCCC6)c(F)c4)ncnc3[nH]2)cn1
InChIInChI=1S/C26H24FN7O/c1-33-14-18(13-30-33)22-12-20-25(28-15-29-26(20)31-22)17-6-5-16(21(27)10-17)7-8-24(35)23-11-19-4-2-3-9-34(19)32-23/h5-6,10-15H,2-4,7-9H2,1H3,(H,28,29,31)
InChIKeyUJNIANKAUQOPMI-UHFFFAOYSA-N
MW469.52 g/mol
LogP4.51
Rot. Bonds6

About 3-[2-fluoro-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one

3-[2-fluoro-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one (PubChem CID 161109697) has the molecular formula C26H24FN7O and a molecular weight of 469.52 g/mol. Its IUPAC name is 3-[2-fluoro-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[2-fluoro-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one
PubChem CID161109697
Molecular FormulaC26H24FN7O
Molecular Weight469.52 g/mol
Exact Mass469.20
IUPAC Name3-[2-fluoro-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one
SMILESCn1cc(-c2cc3c(-c4ccc(CCC(=O)c5cc6n(n5)CCCC6)c(F)c4)ncnc3[nH]2)cn1
InChIInChI=1S/C26H24FN7O/c1-33-14-18(13-30-33)22-12-20-25(28-15-29-26(20)31-22)17-6-5-16(21(27)10-17)7-8-24(35)23-11-19-4-2-3-9-34(19)32-23/h5-6,10-15H,2-4,7-9H2,1H3,(H,28,29,31)
InChIKeyUJNIANKAUQOPMI-UHFFFAOYSA-N
XLogP4.51
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-fluoro-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one?
The IUPAC name of 3-[2-fluoro-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one (CID 161109697) is 3-[2-fluoro-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one.
What is the SMILES notation for 3-[2-fluoro-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one?
The canonical SMILES for 3-[2-fluoro-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one is Cn1cc(-c2cc3c(-c4ccc(CCC(=O)c5cc6n(n5)CCCC6)c(F)c4)ncnc3[nH]2)cn1.
What is the InChIKey of 3-[2-fluoro-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one?
The InChIKey is UJNIANKAUQOPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O/c1-33-14-18(13-30-33)22-12-20-25(28-15-29-26(20)31-22)17-6-5-16(21(27)10-17)7-8-24(35)23-11-19-4-2-3-9-34(19)32-23/h5-6,10-15H,2-4,7-9H2,1H3,(H,28,29,31).
What are the key properties of 3-[2-fluoro-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one?
3-[2-fluoro-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one has a molecular weight of 469.52 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)propan-1-one is sourced from PubChem (CID 161109697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).