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

C21H20FN7O — CID 58386336

IUPACN-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cccc(F)c4)nc23)n1
InChIInChI=1S/C21H20FN7O/c1-27-10-7-16(26-27)21(30)24-17-13-23-29-11-8-19(25-20(17)29)28-9-3-6-18(28)14-4-2-5-15(22)12-14/h2,4-5,7-8,10-13,18H,3,6,9H2,1H3,(H,24,30)/t18-/m1/s1
InChIKeyZWDXFAVAWPLHOJ-GOSISDBHSA-N
MW405.44 g/mol
LogP3.20
Rot. Bonds4

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

N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 58386336) has the molecular formula C21H20FN7O and a molecular weight of 405.44 g/mol. Its IUPAC name is N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazole-3-carboxamide
PubChem CID58386336
Molecular FormulaC21H20FN7O
Molecular Weight405.44 g/mol
Exact Mass405.17
IUPAC NameN-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cccc(F)c4)nc23)n1
InChIInChI=1S/C21H20FN7O/c1-27-10-7-16(26-27)21(30)24-17-13-23-29-11-8-19(25-20(17)29)28-9-3-6-18(28)14-4-2-5-15(22)12-14/h2,4-5,7-8,10-13,18H,3,6,9H2,1H3,(H,24,30)/t18-/m1/s1
InChIKeyZWDXFAVAWPLHOJ-GOSISDBHSA-N
XLogP3.20
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 53.20
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]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazole-3-carboxamide (CID 58386336) is N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazole-3-carboxamide is Cn1ccc(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]-1-methylpyrazole-3-carboxamide?
The InChIKey is ZWDXFAVAWPLHOJ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H20FN7O/c1-27-10-7-16(26-27)21(30)24-17-13-23-29-11-8-19(25-20(17)29)28-9-3-6-18(28)14-4-2-5-15(22)12-14/h2,4-5,7-8,10-13,18H,3,6,9H2,1H3,(H,24,30)/t18-/m1/s1.
What are the key properties of N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazole-3-carboxamide?
N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 405.44 g/mol, XLogP of 3.20, 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]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 58386336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).