(7S)-3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine

C22H17ClN4O — CID 26182739

IUPAC(7S)-3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1-c1ccc(Cl)cc1)N=C(c1ccco1)C[C@H]2c1cccnc1
InChIInChI=1S/C22H17ClN4O/c1-14-21(15-6-8-17(23)9-7-15)22-25-18(20-5-3-11-28-20)12-19(27(22)26-14)16-4-2-10-24-13-16/h2-11,13,19H,12H2,1H3/t19-/m0/s1
InChIKeyOWDFENFMSLRKJB-IBGZPJMESA-N
MW388.86 g/mol
LogP5.61
Rot. Bonds3

About (7S)-3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine

(7S)-3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 26182739) has the molecular formula C22H17ClN4O and a molecular weight of 388.86 g/mol. Its IUPAC name is (7S)-3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(7S)-3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID26182739
Molecular FormulaC22H17ClN4O
Molecular Weight388.86 g/mol
Exact Mass388.11
IUPAC Name(7S)-3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1-c1ccc(Cl)cc1)N=C(c1ccco1)C[C@H]2c1cccnc1
InChIInChI=1S/C22H17ClN4O/c1-14-21(15-6-8-17(23)9-7-15)22-25-18(20-5-3-11-28-20)12-19(27(22)26-14)16-4-2-10-24-13-16/h2-11,13,19H,12H2,1H3/t19-/m0/s1
InChIKeyOWDFENFMSLRKJB-IBGZPJMESA-N
XLogP5.61
TPSA56.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.86
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-3-(4-chlorophenyl)-5,7-bis(furan-2-yl)-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 7358868
(7R)-5-(furan-2-yl)-3-(4-methoxyphenyl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 7708607
(7S)-3-(4-chlorophenyl)-2-methyl-5-naphthalen-2-yl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 41352592
(7S)-3-(4-methoxyphenyl)-2-methyl-5-(3-nitrophenyl)-7-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 26182717
(7R)-2-methyl-5-(4-methylphenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 40696761
5-(4-fluorophenyl)-2-methyl-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 17121149
(7S)-5-(3,4-dimethoxyphenyl)-7-(furan-2-yl)-2-methyl-3-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 40771955
(7R)-2-methyl-5-(3-nitrophenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 26182684
2-(4-chlorophenyl)-5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 3131186
5-(4-chlorophenyl)-4-ethyl-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione
CID 24563755
7-(4-chlorophenyl)-2-(4-methylphenyl)-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 139222328
furan;3-(1-methylpyrrolidin-2-yl)pyridine
CID 159944485

Frequently Asked Questions

What is the IUPAC name of (7S)-3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of (7S)-3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine (CID 26182739) is (7S)-3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (7S)-3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for (7S)-3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine is Cc1nn2c(c1-c1ccc(Cl)cc1)N=C(c1ccco1)C[C@H]2c1cccnc1.
What is the InChIKey of (7S)-3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is OWDFENFMSLRKJB-IBGZPJMESA-N. The full InChI is InChI=1S/C22H17ClN4O/c1-14-21(15-6-8-17(23)9-7-15)22-25-18(20-5-3-11-28-20)12-19(27(22)26-14)16-4-2-10-24-13-16/h2-11,13,19H,12H2,1H3/t19-/m0/s1.
What are the key properties of (7S)-3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
(7S)-3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 388.86 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 26182739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).