2-amino-N-cyclopropyl-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H19F3N6O — CID 134480319

IUPAC2-amino-N-cyclopropyl-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3F)nc2c1C(=O)NC1CC1
InChIInChI=1S/C20H19F3N6O/c21-10-1-4-14(23)13(7-10)15-8-11(22)9-28(15)16-5-6-29-19(26-16)17(18(24)27-29)20(30)25-12-2-3-12/h1,4-7,11-12,15H,2-3,8-9H2,(H2,24,27)(H,25,30)/t11-,15+/m0/s1
InChIKeyBYLVLCCXPZEVOK-XHDPSFHLSA-N
MW416.41 g/mol
LogP2.77
Rot. Bonds4

About 2-amino-N-cyclopropyl-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-cyclopropyl-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134480319) has the molecular formula C20H19F3N6O and a molecular weight of 416.41 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134480319
Molecular FormulaC20H19F3N6O
Molecular Weight416.41 g/mol
Exact Mass416.16
IUPAC Name2-amino-N-cyclopropyl-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3F)nc2c1C(=O)NC1CC1
InChIInChI=1S/C20H19F3N6O/c21-10-1-4-14(23)13(7-10)15-8-11(22)9-28(15)16-5-6-29-19(26-16)17(18(24)27-29)20(30)25-12-2-3-12/h1,4-7,11-12,15H,2-3,8-9H2,(H2,24,27)(H,25,30)/t11-,15+/m0/s1
InChIKeyBYLVLCCXPZEVOK-XHDPSFHLSA-N
XLogP2.77
TPSA88.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-cyclopropyl-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134480319) is 2-amino-N-cyclopropyl-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-cyclopropyl-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3F)nc2c1C(=O)NC1CC1.
What is the InChIKey of 2-amino-N-cyclopropyl-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BYLVLCCXPZEVOK-XHDPSFHLSA-N. The full InChI is InChI=1S/C20H19F3N6O/c21-10-1-4-14(23)13(7-10)15-8-11(22)9-28(15)16-5-6-29-19(26-16)17(18(24)27-29)20(30)25-12-2-3-12/h1,4-7,11-12,15H,2-3,8-9H2,(H2,24,27)(H,25,30)/t11-,15+/m0/s1.
What are the key properties of 2-amino-N-cyclopropyl-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-cyclopropyl-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 416.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134480319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).