7-(cyclopropanecarbonylamino)-2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C25H27N5O4 — CID 146592289

IUPAC7-(cyclopropanecarbonylamino)-2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc(C4=NC(C)(C)CO4)cc3OC)cc12
InChIInChI=1S/C25H27N5O4/c1-25(2)12-34-24(30-25)14-7-8-15(19(9-14)33-4)18-10-16-17(23(32)26-3)11-27-21(20(16)28-18)29-22(31)13-5-6-13/h7-11,13,28H,5-6,12H2,1-4H3,(H,26,32)(H,27,29,31)
InChIKeyUJXAVJSGPVPDAZ-UHFFFAOYSA-N
MW461.52 g/mol
LogP3.50
Rot. Bonds6

About 7-(cyclopropanecarbonylamino)-2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

7-(cyclopropanecarbonylamino)-2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146592289) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is 7-(cyclopropanecarbonylamino)-2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-(cyclopropanecarbonylamino)-2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146592289
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC Name7-(cyclopropanecarbonylamino)-2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc(C4=NC(C)(C)CO4)cc3OC)cc12
InChIInChI=1S/C25H27N5O4/c1-25(2)12-34-24(30-25)14-7-8-15(19(9-14)33-4)18-10-16-17(23(32)26-3)11-27-21(20(16)28-18)29-22(31)13-5-6-13/h7-11,13,28H,5-6,12H2,1-4H3,(H,26,32)(H,27,29,31)
InChIKeyUJXAVJSGPVPDAZ-UHFFFAOYSA-N
XLogP3.50
TPSA117.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-(cyclopropanecarbonylamino)-2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonylamino)-2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-(cyclopropanecarbonylamino)-2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146592289) is 7-(cyclopropanecarbonylamino)-2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 7-(cyclopropanecarbonylamino)-2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-(cyclopropanecarbonylamino)-2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc(C4=NC(C)(C)CO4)cc3OC)cc12.
What is the InChIKey of 7-(cyclopropanecarbonylamino)-2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is UJXAVJSGPVPDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-25(2)12-34-24(30-25)14-7-8-15(19(9-14)33-4)18-10-16-17(23(32)26-3)11-27-21(20(16)28-18)29-22(31)13-5-6-13/h7-11,13,28H,5-6,12H2,1-4H3,(H,26,32)(H,27,29,31).
What are the key properties of 7-(cyclopropanecarbonylamino)-2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-(cyclopropanecarbonylamino)-2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonylamino)-2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146592289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).