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

C19H19F3N6O2 — CID 134480318

IUPAC2-amino-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3F)nc2c1C(=O)NCCO
InChIInChI=1S/C19H19F3N6O2/c20-10-1-2-13(22)12(7-10)14-8-11(21)9-27(14)15-3-5-28-18(25-15)16(17(23)26-28)19(30)24-4-6-29/h1-3,5,7,11,14,29H,4,6,8-9H2,(H2,23,26)(H,24,30)/t11-,14+/m0/s1
InChIKeyJDUDAPRBPRFCAA-SMDDNHRTSA-N
MW420.40 g/mol
LogP1.60
Rot. Bonds5

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

2-amino-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134480318) has the molecular formula C19H19F3N6O2 and a molecular weight of 420.40 g/mol. Its IUPAC name is 2-amino-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134480318
Molecular FormulaC19H19F3N6O2
Molecular Weight420.40 g/mol
Exact Mass420.15
IUPAC Name2-amino-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3F)nc2c1C(=O)NCCO
InChIInChI=1S/C19H19F3N6O2/c20-10-1-2-13(22)12(7-10)14-8-11(21)9-27(14)15-3-5-28-18(25-15)16(17(23)26-28)19(30)24-4-6-29/h1-3,5,7,11,14,29H,4,6,8-9H2,(H2,23,26)(H,24,30)/t11-,14+/m0/s1
InChIKeyJDUDAPRBPRFCAA-SMDDNHRTSA-N
XLogP1.60
TPSA108.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134480318) is 2-amino-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3F)nc2c1C(=O)NCCO.
What is the InChIKey of 2-amino-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JDUDAPRBPRFCAA-SMDDNHRTSA-N. The full InChI is InChI=1S/C19H19F3N6O2/c20-10-1-2-13(22)12(7-10)14-8-11(21)9-27(14)15-3-5-28-18(25-15)16(17(23)26-28)19(30)24-4-6-29/h1-3,5,7,11,14,29H,4,6,8-9H2,(H2,23,26)(H,24,30)/t11-,14+/m0/s1.
What are the key properties of 2-amino-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 420.40 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134480318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).