N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxypyridine-2-carboxamide

C23H21FN6O2 — CID 58386272

IUPACN-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxypyridine-2-carboxamide
SMILESCOc1cccc(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cccc(F)c4)nc23)n1
InChIInChI=1S/C23H21FN6O2/c1-32-21-9-3-7-17(26-21)23(31)27-18-14-25-30-12-10-20(28-22(18)30)29-11-4-8-19(29)15-5-2-6-16(24)13-15/h2-3,5-7,9-10,12-14,19H,4,8,11H2,1H3,(H,27,31)/t19-/m1/s1
InChIKeyICJHBZTYLFLFTH-LJQANCHMSA-N
MW432.46 g/mol
LogP3.87
Rot. Bonds5

About N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxypyridine-2-carboxamide

N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxypyridine-2-carboxamide (PubChem CID 58386272) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxypyridine-2-carboxamide
PubChem CID58386272
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC NameN-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxypyridine-2-carboxamide
SMILESCOc1cccc(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cccc(F)c4)nc23)n1
InChIInChI=1S/C23H21FN6O2/c1-32-21-9-3-7-17(26-21)23(31)27-18-14-25-30-12-10-20(28-22(18)30)29-11-4-8-19(29)15-5-2-6-16(24)13-15/h2-3,5-7,9-10,12-14,19H,4,8,11H2,1H3,(H,27,31)/t19-/m1/s1
InChIKeyICJHBZTYLFLFTH-LJQANCHMSA-N
XLogP3.87
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxypyridine-2-carboxamide?
The IUPAC name of N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxypyridine-2-carboxamide (CID 58386272) is N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxypyridine-2-carboxamide is COc1cccc(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cccc(F)c4)nc23)n1.
What is the InChIKey of N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxypyridine-2-carboxamide?
The InChIKey is ICJHBZTYLFLFTH-LJQANCHMSA-N. The full InChI is InChI=1S/C23H21FN6O2/c1-32-21-9-3-7-17(26-21)23(31)27-18-14-25-30-12-10-20(28-22(18)30)29-11-4-8-19(29)15-5-2-6-16(24)13-15/h2-3,5-7,9-10,12-14,19H,4,8,11H2,1H3,(H,27,31)/t19-/m1/s1.
What are the key properties of N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxypyridine-2-carboxamide?
N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxypyridine-2-carboxamide has a molecular weight of 432.46 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxypyridine-2-carboxamide is sourced from PubChem (CID 58386272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).