N-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide

C20H22FN7O2 — CID 67329870

IUPACN-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide
SMILESO=C(Nc1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)N1CCC(O)C1
InChIInChI=1S/C20H22FN7O2/c21-14-8-13(9-22-10-14)17-2-1-5-27(17)18-4-7-28-19(25-18)16(11-23-28)24-20(30)26-6-3-15(29)12-26/h4,7-11,15,17,29H,1-3,5-6,12H2,(H,24,30)
InChIKeyPIWHHONESBMIIR-UHFFFAOYSA-N
MW411.44 g/mol
LogP2.20
Rot. Bonds3

About N-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide

N-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 67329870) has the molecular formula C20H22FN7O2 and a molecular weight of 411.44 g/mol. Its IUPAC name is N-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide
PubChem CID67329870
Molecular FormulaC20H22FN7O2
Molecular Weight411.44 g/mol
Exact Mass411.18
IUPAC NameN-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide
SMILESO=C(Nc1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)N1CCC(O)C1
InChIInChI=1S/C20H22FN7O2/c21-14-8-13(9-22-10-14)17-2-1-5-27(17)18-4-7-28-19(25-18)16(11-23-28)24-20(30)26-6-3-15(29)12-26/h4,7-11,15,17,29H,1-3,5-6,12H2,(H,24,30)
InChIKeyPIWHHONESBMIIR-UHFFFAOYSA-N
XLogP2.20
TPSA98.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of N-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide (CID 67329870) is N-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for N-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide is O=C(Nc1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)N1CCC(O)C1.
What is the InChIKey of N-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is PIWHHONESBMIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7O2/c21-14-8-13(9-22-10-14)17-2-1-5-27(17)18-4-7-28-19(25-18)16(11-23-28)24-20(30)26-6-3-15(29)12-26/h4,7-11,15,17,29H,1-3,5-6,12H2,(H,24,30).
What are the key properties of N-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide?
N-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 411.44 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 67329870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).