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

C23H23FN6O2 — CID 134490977

IUPACN-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NC1C=NN2C=CC(N3CCC[C@@H]3c3cccc(F)c3)=NC12
InChIInChI=1S/C23H23FN6O2/c1-32-23-17(7-3-10-25-23)22(31)27-18-14-26-30-12-9-20(28-21(18)30)29-11-4-8-19(29)15-5-2-6-16(24)13-15/h2-3,5-7,9-10,12-14,18-19,21H,4,8,11H2,1H3,(H,27,31)/t18?,19-,21?/m1/s1
InChIKeyNGUHBNORHOQYLG-OBXNSHGQSA-N
MW434.48 g/mol
LogP2.72
Rot. Bonds4

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

N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxypyridine-3-carboxamide (PubChem CID 134490977) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxypyridine-3-carboxamide
PubChem CID134490977
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC NameN-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NC1C=NN2C=CC(N3CCC[C@@H]3c3cccc(F)c3)=NC12
InChIInChI=1S/C23H23FN6O2/c1-32-23-17(7-3-10-25-23)22(31)27-18-14-26-30-12-9-20(28-21(18)30)29-11-4-8-19(29)15-5-2-6-16(24)13-15/h2-3,5-7,9-10,12-14,18-19,21H,4,8,11H2,1H3,(H,27,31)/t18?,19-,21?/m1/s1
InChIKeyNGUHBNORHOQYLG-OBXNSHGQSA-N
XLogP2.72
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxypyridine-3-carboxamide with MolForge

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Related Compounds

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CID 58386333
CID 45501960
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CID 52906532
CID 52906532
CID 53181302
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CID 71795133
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CID 71805052
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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxypyridine-3-carboxamide (CID 134490977) is N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)NC1C=NN2C=CC(N3CCC[C@@H]3c3cccc(F)c3)=NC12.
What is the InChIKey of N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxypyridine-3-carboxamide?
The InChIKey is NGUHBNORHOQYLG-OBXNSHGQSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-32-23-17(7-3-10-25-23)22(31)27-18-14-26-30-12-9-20(28-21(18)30)29-11-4-8-19(29)15-5-2-6-16(24)13-15/h2-3,5-7,9-10,12-14,18-19,21H,4,8,11H2,1H3,(H,27,31)/t18?,19-,21?/m1/s1.
What are the key properties of N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxypyridine-3-carboxamide?
N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxypyridine-3-carboxamide has a molecular weight of 434.48 g/mol, XLogP of 2.72, 4 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]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 134490977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).