5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine

C20H19F2N7 — CID 134480542

IUPAC5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCn1cc(-c2c(N)nn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)cn1
InChIInChI=1S/C20H19F2N7/c1-27-11-12(10-24-27)18-19(23)26-29-8-6-17(25-20(18)29)28-7-2-3-16(28)14-9-13(21)4-5-15(14)22/h4-6,8-11,16H,2-3,7H2,1H3,(H2,23,26)/t16-/m1/s1
InChIKeyAYRIJTTVHUWAEF-MRXNPFEDSA-N
MW395.42 g/mol
LogP3.33
Rot. Bonds3

About 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 134480542) has the molecular formula C20H19F2N7 and a molecular weight of 395.42 g/mol. Its IUPAC name is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID134480542
Molecular FormulaC20H19F2N7
Molecular Weight395.42 g/mol
Exact Mass395.17
IUPAC Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCn1cc(-c2c(N)nn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)cn1
InChIInChI=1S/C20H19F2N7/c1-27-11-12(10-24-27)18-19(23)26-29-8-6-17(25-20(18)29)28-7-2-3-16(28)14-9-13(21)4-5-15(14)22/h4-6,8-11,16H,2-3,7H2,1H3,(H2,23,26)/t16-/m1/s1
InChIKeyAYRIJTTVHUWAEF-MRXNPFEDSA-N
XLogP3.33
TPSA77.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine (CID 134480542) is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine is Cn1cc(-c2c(N)nn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)cn1.
What is the InChIKey of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is AYRIJTTVHUWAEF-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19F2N7/c1-27-11-12(10-24-27)18-19(23)26-29-8-6-17(25-20(18)29)28-7-2-3-16(28)14-9-13(21)4-5-15(14)22/h4-6,8-11,16H,2-3,7H2,1H3,(H2,23,26)/t16-/m1/s1.
What are the key properties of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine?
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 395.42 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 134480542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).