4-[3-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]-6-ethylpyrimidin-2-amine

C24H20F2N6 — CID 58425495

IUPAC4-[3-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]-6-ethylpyrimidin-2-amine
SMILESCCc1cc(C2=CCc3ncc(-c4cnn(Cc5ccc(F)c(F)c5)c4)cc32)nc(N)n1
InChIInChI=1S/C24H20F2N6/c1-2-17-9-23(31-24(27)30-17)18-4-6-22-19(18)8-15(10-28-22)16-11-29-32(13-16)12-14-3-5-20(25)21(26)7-14/h3-5,7-11,13H,2,6,12H2,1H3,(H2,27,30,31)
InChIKeyVOAIDMQSHWNNBH-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.19
Rot. Bonds5

About 4-[3-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]-6-ethylpyrimidin-2-amine

4-[3-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]-6-ethylpyrimidin-2-amine (PubChem CID 58425495) has the molecular formula C24H20F2N6 and a molecular weight of 430.46 g/mol. Its IUPAC name is 4-[3-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]-6-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]-6-ethylpyrimidin-2-amine
PubChem CID58425495
Molecular FormulaC24H20F2N6
Molecular Weight430.46 g/mol
Exact Mass430.17
IUPAC Name4-[3-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]-6-ethylpyrimidin-2-amine
SMILESCCc1cc(C2=CCc3ncc(-c4cnn(Cc5ccc(F)c(F)c5)c4)cc32)nc(N)n1
InChIInChI=1S/C24H20F2N6/c1-2-17-9-23(31-24(27)30-17)18-4-6-22-19(18)8-15(10-28-22)16-11-29-32(13-16)12-14-3-5-20(25)21(26)7-14/h3-5,7-11,13H,2,6,12H2,1H3,(H2,27,30,31)
InChIKeyVOAIDMQSHWNNBH-UHFFFAOYSA-N
XLogP4.19
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]-6-ethylpyrimidin-2-amine?
The IUPAC name of 4-[3-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]-6-ethylpyrimidin-2-amine (CID 58425495) is 4-[3-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]-6-ethylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]-6-ethylpyrimidin-2-amine?
The canonical SMILES for 4-[3-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]-6-ethylpyrimidin-2-amine is CCc1cc(C2=CCc3ncc(-c4cnn(Cc5ccc(F)c(F)c5)c4)cc32)nc(N)n1.
What is the InChIKey of 4-[3-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]-6-ethylpyrimidin-2-amine?
The InChIKey is VOAIDMQSHWNNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6/c1-2-17-9-23(31-24(27)30-17)18-4-6-22-19(18)8-15(10-28-22)16-11-29-32(13-16)12-14-3-5-20(25)21(26)7-14/h3-5,7-11,13H,2,6,12H2,1H3,(H2,27,30,31).
What are the key properties of 4-[3-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]-6-ethylpyrimidin-2-amine?
4-[3-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]-6-ethylpyrimidin-2-amine has a molecular weight of 430.46 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]-6-ethylpyrimidin-2-amine is sourced from PubChem (CID 58425495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).