N-cyclopropyl-5-[(5R)-5-(2,5-difluorophenyl)-2,2-dimethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H23F2N5O — CID 67501128

IUPACN-cyclopropyl-5-[(5R)-5-(2,5-difluorophenyl)-2,2-dimethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)CC[C@H](c2cc(F)ccc2F)N1c1ccn2ncc(C(=O)NC3CC3)c2n1
InChIInChI=1S/C22H23F2N5O/c1-22(2)9-7-18(15-11-13(23)3-6-17(15)24)29(22)19-8-10-28-20(27-19)16(12-25-28)21(30)26-14-4-5-14/h3,6,8,10-12,14,18H,4-5,7,9H2,1-2H3,(H,26,30)/t18-/m1/s1
InChIKeyHQCZHKJSSABUNL-GOSISDBHSA-N
MW411.46 g/mol
LogP4.02
Rot. Bonds4

About N-cyclopropyl-5-[(5R)-5-(2,5-difluorophenyl)-2,2-dimethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-5-[(5R)-5-(2,5-difluorophenyl)-2,2-dimethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67501128) has the molecular formula C22H23F2N5O and a molecular weight of 411.46 g/mol. Its IUPAC name is N-cyclopropyl-5-[(5R)-5-(2,5-difluorophenyl)-2,2-dimethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(5R)-5-(2,5-difluorophenyl)-2,2-dimethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67501128
Molecular FormulaC22H23F2N5O
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC NameN-cyclopropyl-5-[(5R)-5-(2,5-difluorophenyl)-2,2-dimethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)CC[C@H](c2cc(F)ccc2F)N1c1ccn2ncc(C(=O)NC3CC3)c2n1
InChIInChI=1S/C22H23F2N5O/c1-22(2)9-7-18(15-11-13(23)3-6-17(15)24)29(22)19-8-10-28-20(27-19)16(12-25-28)21(30)26-14-4-5-14/h3,6,8,10-12,14,18H,4-5,7,9H2,1-2H3,(H,26,30)/t18-/m1/s1
InChIKeyHQCZHKJSSABUNL-GOSISDBHSA-N
XLogP4.02
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(5R)-5-(2,5-difluorophenyl)-2,2-dimethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(5R)-5-(2,5-difluorophenyl)-2,2-dimethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67501128) is N-cyclopropyl-5-[(5R)-5-(2,5-difluorophenyl)-2,2-dimethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(5R)-5-(2,5-difluorophenyl)-2,2-dimethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(5R)-5-(2,5-difluorophenyl)-2,2-dimethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(C)CC[C@H](c2cc(F)ccc2F)N1c1ccn2ncc(C(=O)NC3CC3)c2n1.
What is the InChIKey of N-cyclopropyl-5-[(5R)-5-(2,5-difluorophenyl)-2,2-dimethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HQCZHKJSSABUNL-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23F2N5O/c1-22(2)9-7-18(15-11-13(23)3-6-17(15)24)29(22)19-8-10-28-20(27-19)16(12-25-28)21(30)26-14-4-5-14/h3,6,8,10-12,14,18H,4-5,7,9H2,1-2H3,(H,26,30)/t18-/m1/s1.
What are the key properties of N-cyclopropyl-5-[(5R)-5-(2,5-difluorophenyl)-2,2-dimethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-5-[(5R)-5-(2,5-difluorophenyl)-2,2-dimethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(5R)-5-(2,5-difluorophenyl)-2,2-dimethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67501128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).