3-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine

C24H19ClF2N6O — CID 151775911

IUPAC3-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc2nc(-c3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)[nH]c2cc1Cl
InChIInChI=1S/C24H19ClF2N6O/c1-34-21-11-19-18(10-16(21)25)29-23(30-19)15-12-28-33-8-6-22(31-24(15)33)32-7-2-3-20(32)14-9-13(26)4-5-17(14)27/h4-6,8-12,20H,2-3,7H2,1H3,(H,29,30)/t20-/m1/s1
InChIKeyRTOOMZMICIUEEF-HXUWFJFHSA-N
MW480.91 g/mol
LogP5.55
Rot. Bonds4

About 3-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine

3-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 151775911) has the molecular formula C24H19ClF2N6O and a molecular weight of 480.91 g/mol. Its IUPAC name is 3-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID151775911
Molecular FormulaC24H19ClF2N6O
Molecular Weight480.91 g/mol
Exact Mass480.13
IUPAC Name3-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc2nc(-c3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)[nH]c2cc1Cl
InChIInChI=1S/C24H19ClF2N6O/c1-34-21-11-19-18(10-16(21)25)29-23(30-19)15-12-28-33-8-6-22(31-24(15)33)32-7-2-3-20(32)14-9-13(26)4-5-17(14)27/h4-6,8-12,20H,2-3,7H2,1H3,(H,29,30)/t20-/m1/s1
InChIKeyRTOOMZMICIUEEF-HXUWFJFHSA-N
XLogP5.55
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.91
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ccx-354
CID 135565361
N-((5-(3-(5-methoxy-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methyl)ethanamine
CID 135497841
2-[4-[3-Chloro-4-(1-methylindazol-4-yl)oxyanilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethanol
CID 57415537
N-methyl(5-(3-(5-(trifluoromethoxy)-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methanamine
CID 135497834
1-[5-[3-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N-methylmethanamine
CID 135497835
N-[[5-[3-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine
CID 135497843
N-[[5-[3-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]butan-1-amine
CID 135497844
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 22055269
3-chloro-5-[6-chloro-3-(1H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzimidazol-5-yl]oxy-benzonitrile
CID 56833550
2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-6-methoxy-1H-benzimidazole
CID 122189082
N-(3,4-dichlorophenyl)-1-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzimidazol-2-amine
CID 145959478
N-(4-chlorophenyl)-1-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzimidazol-2-amine
CID 145960033

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine (CID 151775911) is 3-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine is COc1cc2nc(-c3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)[nH]c2cc1Cl.
What is the InChIKey of 3-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is RTOOMZMICIUEEF-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H19ClF2N6O/c1-34-21-11-19-18(10-16(21)25)29-23(30-19)15-12-28-33-8-6-22(31-24(15)33)32-7-2-3-20(32)14-9-13(26)4-5-17(14)27/h4-6,8-12,20H,2-3,7H2,1H3,(H,29,30)/t20-/m1/s1.
What are the key properties of 3-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine?
3-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 480.91 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 151775911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).