1,3-dimethyl-N-[2-[2-(1,1,3-trifluoropropan-2-yloxy)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide

C20H18F3N7O2 — CID 175479528

IUPAC1,3-dimethyl-N-[2-[2-(1,1,3-trifluoropropan-2-yloxy)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1cc2[nH]c(-c3ccnc(OC(CF)C(F)F)n3)cc2cn1
InChIInChI=1S/C20H18F3N7O2/c1-10-12(9-30(2)29-10)19(31)28-17-6-14-11(8-25-17)5-15(26-14)13-3-4-24-20(27-13)32-16(7-21)18(22)23/h3-6,8-9,16,18,26H,7H2,1-2H3,(H,25,28,31)
InChIKeyQSJVOSJBSIQBAN-UHFFFAOYSA-N
MW445.41 g/mol
LogP3.30
Rot. Bonds7

About 1,3-dimethyl-N-[2-[2-(1,1,3-trifluoropropan-2-yloxy)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide

1,3-dimethyl-N-[2-[2-(1,1,3-trifluoropropan-2-yloxy)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide (PubChem CID 175479528) has the molecular formula C20H18F3N7O2 and a molecular weight of 445.41 g/mol. Its IUPAC name is 1,3-dimethyl-N-[2-[2-(1,1,3-trifluoropropan-2-yloxy)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[2-[2-(1,1,3-trifluoropropan-2-yloxy)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide
PubChem CID175479528
Molecular FormulaC20H18F3N7O2
Molecular Weight445.41 g/mol
Exact Mass445.15
IUPAC Name1,3-dimethyl-N-[2-[2-(1,1,3-trifluoropropan-2-yloxy)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1cc2[nH]c(-c3ccnc(OC(CF)C(F)F)n3)cc2cn1
InChIInChI=1S/C20H18F3N7O2/c1-10-12(9-30(2)29-10)19(31)28-17-6-14-11(8-25-17)5-15(26-14)13-3-4-24-20(27-13)32-16(7-21)18(22)23/h3-6,8-9,16,18,26H,7H2,1-2H3,(H,25,28,31)
InChIKeyQSJVOSJBSIQBAN-UHFFFAOYSA-N
XLogP3.30
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-N-[2-[2-(1,1,3-trifluoropropan-2-yloxy)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide with MolForge

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Related Compounds

1-methyl-N-[2-[2-(1,2,2-trifluoroethoxy)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide
CID 175479516
1-propan-2-yl-N-[2-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide
CID 171432764
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102820967
iron;N-[2-(2-methanidylpyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
CID 171432742
1-methyl-N-(2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)pyrazole-4-carboxamide
CID 169097850
N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylimidazole-2-carboxamide
CID 135296611
1,3-dimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-carboxamide
CID 19474955
1,3-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-carboxamide
CID 113235417
N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285306
N-(6-fluoro-3-pyridinyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103789989
2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid
CID 102801339
N-[2-(5-fluoro-2-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
CID 169097714

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[2-[2-(1,1,3-trifluoropropan-2-yloxy)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[2-[2-(1,1,3-trifluoropropan-2-yloxy)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide (CID 175479528) is 1,3-dimethyl-N-[2-[2-(1,1,3-trifluoropropan-2-yloxy)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[2-[2-(1,1,3-trifluoropropan-2-yloxy)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[2-[2-(1,1,3-trifluoropropan-2-yloxy)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)Nc1cc2[nH]c(-c3ccnc(OC(CF)C(F)F)n3)cc2cn1.
What is the InChIKey of 1,3-dimethyl-N-[2-[2-(1,1,3-trifluoropropan-2-yloxy)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide?
The InChIKey is QSJVOSJBSIQBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N7O2/c1-10-12(9-30(2)29-10)19(31)28-17-6-14-11(8-25-17)5-15(26-14)13-3-4-24-20(27-13)32-16(7-21)18(22)23/h3-6,8-9,16,18,26H,7H2,1-2H3,(H,25,28,31).
What are the key properties of 1,3-dimethyl-N-[2-[2-(1,1,3-trifluoropropan-2-yloxy)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide?
1,3-dimethyl-N-[2-[2-(1,1,3-trifluoropropan-2-yloxy)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide has a molecular weight of 445.41 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[2-[2-(1,1,3-trifluoropropan-2-yloxy)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 175479528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).