N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H22FN5O2 — CID 68910213

IUPACN-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3CO)nc12
InChIInChI=1S/C21H22FN5O2/c22-14-4-3-13(12-28)16(10-14)18-2-1-8-26(18)19-7-9-27-20(25-19)17(11-23-27)21(29)24-15-5-6-15/h3-4,7,9-11,15,18,28H,1-2,5-6,8,12H2,(H,24,29)/t18-/m1/s1
InChIKeyRHFCOBKLSNCFAP-GOSISDBHSA-N
MW395.44 g/mol
LogP2.59
Rot. Bonds5

About N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 68910213) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID68910213
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC NameN-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3CO)nc12
InChIInChI=1S/C21H22FN5O2/c22-14-4-3-13(12-28)16(10-14)18-2-1-8-26(18)19-7-9-27-20(25-19)17(11-23-27)21(29)24-15-5-6-15/h3-4,7,9-11,15,18,28H,1-2,5-6,8,12H2,(H,24,29)/t18-/m1/s1
InChIKeyRHFCOBKLSNCFAP-GOSISDBHSA-N
XLogP2.59
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 68910213) is N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3CO)nc12.
What is the InChIKey of N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RHFCOBKLSNCFAP-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22FN5O2/c22-14-4-3-13(12-28)16(10-14)18-2-1-8-26(18)19-7-9-27-20(25-19)17(11-23-27)21(29)24-15-5-6-15/h3-4,7,9-11,15,18,28H,1-2,5-6,8,12H2,(H,24,29)/t18-/m1/s1.
What are the key properties of N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 68910213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).