N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C24H23F3N6O3 — CID 121231216

IUPACN-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1ncc(C(=O)c2cn(C(C)C)c3ccncc23)cc1NC(=O)Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C24H23F3N6O3/c1-13(2)32-11-17(16-10-28-6-5-19(16)32)22(35)15-8-18(23(36-4)29-9-15)30-21(34)12-33-14(3)7-20(31-33)24(25,26)27/h5-11,13H,12H2,1-4H3,(H,30,34)
InChIKeyMHOLQCBOFCNEAM-UHFFFAOYSA-N
MW500.48 g/mol
LogP4.41
Rot. Bonds7

About N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 121231216) has the molecular formula C24H23F3N6O3 and a molecular weight of 500.48 g/mol. Its IUPAC name is N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID121231216
Molecular FormulaC24H23F3N6O3
Molecular Weight500.48 g/mol
Exact Mass500.18
IUPAC NameN-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1ncc(C(=O)c2cn(C(C)C)c3ccncc23)cc1NC(=O)Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C24H23F3N6O3/c1-13(2)32-11-17(16-10-28-6-5-19(16)32)22(35)15-8-18(23(36-4)29-9-15)30-21(34)12-33-14(3)7-20(31-33)24(25,26)27/h5-11,13H,12H2,1-4H3,(H,30,34)
InChIKeyMHOLQCBOFCNEAM-UHFFFAOYSA-N
XLogP4.41
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 121231216) is N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is COc1ncc(C(=O)c2cn(C(C)C)c3ccncc23)cc1NC(=O)Cn1nc(C(F)(F)F)cc1C.
What is the InChIKey of N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is MHOLQCBOFCNEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O3/c1-13(2)32-11-17(16-10-28-6-5-19(16)32)22(35)15-8-18(23(36-4)29-9-15)30-21(34)12-33-14(3)7-20(31-33)24(25,26)27/h5-11,13H,12H2,1-4H3,(H,30,34).
What are the key properties of N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 500.48 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 121231216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).