6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

C26H27F2N9O — CID 118413904

IUPAC6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1ccc(-c2nc(C3(C)CCN(c4ncnc5[nH]c(-c6cnn(C(F)F)c6)cc45)CC3)[nH]c2C)cn1
InChIInChI=1S/C26H27F2N9O/c1-15-21(16-4-5-20(38-3)29-11-16)35-24(33-15)26(2)6-8-36(9-7-26)23-18-10-19(34-22(18)30-14-31-23)17-12-32-37(13-17)25(27)28/h4-5,10-14,25H,6-9H2,1-3H3,(H,33,35)(H,30,31,34)
InChIKeyMYTQNSSDYOKCCR-UHFFFAOYSA-N
MW519.56 g/mol
LogP4.88
Rot. Bonds6

About 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 118413904) has the molecular formula C26H27F2N9O and a molecular weight of 519.56 g/mol. Its IUPAC name is 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID118413904
Molecular FormulaC26H27F2N9O
Molecular Weight519.56 g/mol
Exact Mass519.23
IUPAC Name6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1ccc(-c2nc(C3(C)CCN(c4ncnc5[nH]c(-c6cnn(C(F)F)c6)cc45)CC3)[nH]c2C)cn1
InChIInChI=1S/C26H27F2N9O/c1-15-21(16-4-5-20(38-3)29-11-16)35-24(33-15)26(2)6-8-36(9-7-26)23-18-10-19(34-22(18)30-14-31-23)17-12-32-37(13-17)25(27)28/h4-5,10-14,25H,6-9H2,1-3H3,(H,33,35)(H,30,31,34)
InChIKeyMYTQNSSDYOKCCR-UHFFFAOYSA-N
XLogP4.88
TPSA113.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.56
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 118413904) is 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is COc1ccc(-c2nc(C3(C)CCN(c4ncnc5[nH]c(-c6cnn(C(F)F)c6)cc45)CC3)[nH]c2C)cn1.
What is the InChIKey of 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is MYTQNSSDYOKCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N9O/c1-15-21(16-4-5-20(38-3)29-11-16)35-24(33-15)26(2)6-8-36(9-7-26)23-18-10-19(34-22(18)30-14-31-23)17-12-32-37(13-17)25(27)28/h4-5,10-14,25H,6-9H2,1-3H3,(H,33,35)(H,30,31,34).
What are the key properties of 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 519.56 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 118413904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).