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

C20H23FN6O4 — CID 67500848

IUPACN-[(2R)-2,3-dihydroxypropyl]-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[C@@H](O)CO)c2n1
InChIInChI=1S/C20H23FN6O4/c1-31-20-14(7-12(21)8-23-20)16-3-2-5-26(16)17-4-6-27-18(25-17)15(10-24-27)19(30)22-9-13(29)11-28/h4,6-8,10,13,16,28-29H,2-3,5,9,11H2,1H3,(H,22,30)/t13-,16-/m1/s1
InChIKeyHGBUMXKTCONBMP-CZUORRHYSA-N
MW430.44 g/mol
LogP0.70
Rot. Bonds7

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

N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67500848) has the molecular formula C20H23FN6O4 and a molecular weight of 430.44 g/mol. Its IUPAC name is N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67500848
Molecular FormulaC20H23FN6O4
Molecular Weight430.44 g/mol
Exact Mass430.18
IUPAC NameN-[(2R)-2,3-dihydroxypropyl]-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[C@@H](O)CO)c2n1
InChIInChI=1S/C20H23FN6O4/c1-31-20-14(7-12(21)8-23-20)16-3-2-5-26(16)17-4-6-27-18(25-17)15(10-24-27)19(30)22-9-13(29)11-28/h4,6-8,10,13,16,28-29H,2-3,5,9,11H2,1H3,(H,22,30)/t13-,16-/m1/s1
InChIKeyHGBUMXKTCONBMP-CZUORRHYSA-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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67500848) is N-[(2R)-2,3-dihydroxypropyl]-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-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2R)-2,3-dihydroxypropyl]-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[C@@H](O)CO)c2n1.
What is the InChIKey of N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HGBUMXKTCONBMP-CZUORRHYSA-N. The full InChI is InChI=1S/C20H23FN6O4/c1-31-20-14(7-12(21)8-23-20)16-3-2-5-26(16)17-4-6-27-18(25-17)15(10-24-27)19(30)22-9-13(29)11-28/h4,6-8,10,13,16,28-29H,2-3,5,9,11H2,1H3,(H,22,30)/t13-,16-/m1/s1.
What are the key properties of N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(2R)-2,3-dihydroxypropyl]-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-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67500848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).