N-(1,3-dihydroxypropan-2-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H23FN6O4 — CID 67500880

IUPACN-(1,3-dihydroxypropan-2-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC(CO)CO)c2n1
InChIInChI=1S/C20H23FN6O4/c1-31-20-14(7-12(21)8-22-20)16-3-2-5-26(16)17-4-6-27-18(25-17)15(9-23-27)19(30)24-13(10-28)11-29/h4,6-9,13,16,28-29H,2-3,5,10-11H2,1H3,(H,24,30)/t16-/m1/s1
InChIKeyVKGDZKKOMMTJBF-MRXNPFEDSA-N
MW430.44 g/mol
LogP0.70
Rot. Bonds7

About N-(1,3-dihydroxypropan-2-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(1,3-dihydroxypropan-2-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67500880) has the molecular formula C20H23FN6O4 and a molecular weight of 430.44 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67500880
Molecular FormulaC20H23FN6O4
Molecular Weight430.44 g/mol
Exact Mass430.18
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC(CO)CO)c2n1
InChIInChI=1S/C20H23FN6O4/c1-31-20-14(7-12(21)8-22-20)16-3-2-5-26(16)17-4-6-27-18(25-17)15(9-23-27)19(30)24-13(10-28)11-29/h4,6-9,13,16,28-29H,2-3,5,10-11H2,1H3,(H,24,30)/t16-/m1/s1
InChIKeyVKGDZKKOMMTJBF-MRXNPFEDSA-N
XLogP0.70
TPSA125.11 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-(1,3-dihydroxypropan-2-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67500880) is N-(1,3-dihydroxypropan-2-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC(CO)CO)c2n1.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VKGDZKKOMMTJBF-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23FN6O4/c1-31-20-14(7-12(21)8-22-20)16-3-2-5-26(16)17-4-6-27-18(25-17)15(9-23-27)19(30)24-13(10-28)11-29/h4,6-9,13,16,28-29H,2-3,5,10-11H2,1H3,(H,24,30)/t16-/m1/s1.
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(1,3-dihydroxypropan-2-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 430.44 g/mol, XLogP of 0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67500880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).