4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine

C18H15FN6 — CID 162760154

IUPAC4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine
SMILESCc1nc(-c2c(-c3ccc(F)cc3)nn3c2CCC3)c2cn[nH]c2n1
InChIInChI=1S/C18H15FN6/c1-10-21-17(13-9-20-23-18(13)22-10)15-14-3-2-8-25(14)24-16(15)11-4-6-12(19)7-5-11/h4-7,9H,2-3,8H2,1H3,(H,20,21,22,23)
InChIKeyYPBNDYUKMXCOOI-UHFFFAOYSA-N
MW334.36 g/mol
LogP3.28
Rot. Bonds2

About 4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine

4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine (PubChem CID 162760154) has the molecular formula C18H15FN6 and a molecular weight of 334.36 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine
PubChem CID162760154
Molecular FormulaC18H15FN6
Molecular Weight334.36 g/mol
Exact Mass334.13
IUPAC Name4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine
SMILESCc1nc(-c2c(-c3ccc(F)cc3)nn3c2CCC3)c2cn[nH]c2n1
InChIInChI=1S/C18H15FN6/c1-10-21-17(13-9-20-23-18(13)22-10)15-14-3-2-8-25(14)24-16(15)11-4-6-12(19)7-5-11/h4-7,9H,2-3,8H2,1H3,(H,20,21,22,23)
InChIKeyYPBNDYUKMXCOOI-UHFFFAOYSA-N
XLogP3.28
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine with MolForge

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Related Compounds

5-fluoro-4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
CID 162760294
6-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline
CID 122590020
2-(4-fluorophenyl)-6-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 168867938
6-[2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole
CID 122590119
4-[2-(3,5-difluoro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-1H-pyrazolo[3,4-b]pyridine
CID 162760287
N-[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]acetamide
CID 68512552
1-[4-[5-(6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 146845095
(7S)-2-(4-fluorophenyl)-7-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 169306075
2-(4-fluorophenyl)-7-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 169001953
4-[2-(4-fluorophenyl)-5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]-1H-pyrazolo[3,4-b]pyridine
CID 162760320
6-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 166271227
N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]-2-methylbutanamide
CID 129017983

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine (CID 162760154) is 4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine is Cc1nc(-c2c(-c3ccc(F)cc3)nn3c2CCC3)c2cn[nH]c2n1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is YPBNDYUKMXCOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6/c1-10-21-17(13-9-20-23-18(13)22-10)15-14-3-2-8-25(14)24-16(15)11-4-6-12(19)7-5-11/h4-7,9H,2-3,8H2,1H3,(H,20,21,22,23).
What are the key properties of 4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine?
4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 334.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 162760154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).