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

C19H20F2N6O2 — CID 134480326

IUPAC2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc2c1C(=O)NCCO
InChIInChI=1S/C19H20F2N6O2/c20-11-3-4-13(21)12(10-11)14-2-1-7-26(14)15-5-8-27-18(24-15)16(17(22)25-27)19(29)23-6-9-28/h3-5,8,10,14,28H,1-2,6-7,9H2,(H2,22,25)(H,23,29)/t14-/m1/s1
InChIKeyAPXOZFSEZAHZKT-CQSZACIVSA-N
MW402.41 g/mol
LogP1.65
Rot. Bonds5

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

2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134480326) has the molecular formula C19H20F2N6O2 and a molecular weight of 402.41 g/mol. Its IUPAC name is 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134480326
Molecular FormulaC19H20F2N6O2
Molecular Weight402.41 g/mol
Exact Mass402.16
IUPAC Name2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc2c1C(=O)NCCO
InChIInChI=1S/C19H20F2N6O2/c20-11-3-4-13(21)12(10-11)14-2-1-7-26(14)15-5-8-27-18(24-15)16(17(22)25-27)19(29)23-6-9-28/h3-5,8,10,14,28H,1-2,6-7,9H2,(H2,22,25)(H,23,29)/t14-/m1/s1
InChIKeyAPXOZFSEZAHZKT-CQSZACIVSA-N
XLogP1.65
TPSA108.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 134480550
CID 134480550
CID 975267
CID 975267
CID 121333495
CID 121333495
CID 121333500
CID 121333500
CID 45274003
CID 45274003
CID 58386283
CID 58386283
CID 58386288
CID 58386288
CID 67501573
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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134480326) is 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc2c1C(=O)NCCO.
What is the InChIKey of 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is APXOZFSEZAHZKT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20F2N6O2/c20-11-3-4-13(21)12(10-11)14-2-1-7-26(14)15-5-8-27-18(24-15)16(17(22)25-27)19(29)23-6-9-28/h3-5,8,10,14,28H,1-2,6-7,9H2,(H2,22,25)(H,23,29)/t14-/m1/s1.
What are the key properties of 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 402.41 g/mol, XLogP of 1.65, 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)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134480326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).