N-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide

C23H21F2N7O — CID 170292744

IUPACN-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide
SMILESCc1nccnc1C(=O)Nc1cnn2ccc(N3CCC[C@]3(C)c3cc(F)ccc3F)nc12
InChIInChI=1S/C23H21F2N7O/c1-14-20(27-9-8-26-14)22(33)29-18-13-28-32-11-6-19(30-21(18)32)31-10-3-7-23(31,2)16-12-15(24)4-5-17(16)25/h4-6,8-9,11-13H,3,7,10H2,1-2H3,(H,29,33)/t23-/m1/s1
InChIKeySBQAEWXPXYADKP-HSZRJFAPSA-N
MW449.47 g/mol
LogP3.87
Rot. Bonds4

About N-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide

N-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide (PubChem CID 170292744) has the molecular formula C23H21F2N7O and a molecular weight of 449.47 g/mol. Its IUPAC name is N-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide
PubChem CID170292744
Molecular FormulaC23H21F2N7O
Molecular Weight449.47 g/mol
Exact Mass449.18
IUPAC NameN-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide
SMILESCc1nccnc1C(=O)Nc1cnn2ccc(N3CCC[C@]3(C)c3cc(F)ccc3F)nc12
InChIInChI=1S/C23H21F2N7O/c1-14-20(27-9-8-26-14)22(33)29-18-13-28-32-11-6-19(30-21(18)32)31-10-3-7-23(31,2)16-12-15(24)4-5-17(16)25/h4-6,8-9,11-13H,3,7,10H2,1-2H3,(H,29,33)/t23-/m1/s1
InChIKeySBQAEWXPXYADKP-HSZRJFAPSA-N
XLogP3.87
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide
CID 139495925
N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methylpyridine-2-carboxamide
CID 139495935
N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide
CID 67330537
N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]piperazine-1-carboxamide
CID 139495926
N-[5-[2-(2,3-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide
CID 174226829
N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide
CID 67330295
5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 155771744
(3R)-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide
CID 155771747
5-[2-(3-fluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine
CID 67329558
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide
CID 45273880
N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpyridine-3-carboxamide
CID 141332067
N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxy-3-methylazetidine-1-carboxamide
CID 67307029

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide?
The IUPAC name of N-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide (CID 170292744) is N-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide is Cc1nccnc1C(=O)Nc1cnn2ccc(N3CCC[C@]3(C)c3cc(F)ccc3F)nc12.
What is the InChIKey of N-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide?
The InChIKey is SBQAEWXPXYADKP-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H21F2N7O/c1-14-20(27-9-8-26-14)22(33)29-18-13-28-32-11-6-19(30-21(18)32)31-10-3-7-23(31,2)16-12-15(24)4-5-17(16)25/h4-6,8-9,11-13H,3,7,10H2,1-2H3,(H,29,33)/t23-/m1/s1.
What are the key properties of N-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide?
N-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide has a molecular weight of 449.47 g/mol, XLogP of 3.87, 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-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide is sourced from PubChem (CID 170292744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).