7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C26H26N6O3 — CID 146634419

IUPAC7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc(-c4nccn4C)cc3OC3CC3)cc12
InChIInChI=1S/C26H26N6O3/c1-27-26(34)19-13-29-23(31-25(33)14-3-4-14)22-18(19)12-20(30-22)17-8-5-15(24-28-9-10-32(24)2)11-21(17)35-16-6-7-16/h5,8-14,16,30H,3-4,6-7H2,1-2H3,(H,27,34)(H,29,31,33)
InChIKeyZXXSQPSNJQELRX-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.88
Rot. Bonds7

About 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146634419) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146634419
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC Name7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc(-c4nccn4C)cc3OC3CC3)cc12
InChIInChI=1S/C26H26N6O3/c1-27-26(34)19-13-29-23(31-25(33)14-3-4-14)22-18(19)12-20(30-22)17-8-5-15(24-28-9-10-32(24)2)11-21(17)35-16-6-7-16/h5,8-14,16,30H,3-4,6-7H2,1-2H3,(H,27,34)(H,29,31,33)
InChIKeyZXXSQPSNJQELRX-UHFFFAOYSA-N
XLogP3.88
TPSA113.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146634419) is 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc(-c4nccn4C)cc3OC3CC3)cc12.
What is the InChIKey of 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is ZXXSQPSNJQELRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-27-26(34)19-13-29-23(31-25(33)14-3-4-14)22-18(19)12-20(30-22)17-8-5-15(24-28-9-10-32(24)2)11-21(17)35-16-6-7-16/h5,8-14,16,30H,3-4,6-7H2,1-2H3,(H,27,34)(H,29,31,33).
What are the key properties of 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 470.53 g/mol, XLogP of 3.88, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146634419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).