7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-[[4-(methylamino)-4-oxobutyl]amino]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C25H30N6O4 — CID 146592281

IUPAC7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-[[4-(methylamino)-4-oxobutyl]amino]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)CCCNc1ccc(-c2cc3c(C(=O)NC)cnc(NC(=O)C4CC4)c3[nH]2)c(OC)c1
InChIInChI=1S/C25H30N6O4/c1-26-21(32)5-4-10-28-15-8-9-16(20(11-15)35-3)19-12-17-18(25(34)27-2)13-29-23(22(17)30-19)31-24(33)14-6-7-14/h8-9,11-14,28,30H,4-7,10H2,1-3H3,(H,26,32)(H,27,34)(H,29,31,33)
InChIKeyOIUWBCRMVKZADO-UHFFFAOYSA-N
MW478.55 g/mol
LogP2.88
Rot. Bonds10

About 7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-[[4-(methylamino)-4-oxobutyl]amino]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-[[4-(methylamino)-4-oxobutyl]amino]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146592281) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is 7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-[[4-(methylamino)-4-oxobutyl]amino]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-[[4-(methylamino)-4-oxobutyl]amino]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146592281
Molecular FormulaC25H30N6O4
Molecular Weight478.55 g/mol
Exact Mass478.23
IUPAC Name7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-[[4-(methylamino)-4-oxobutyl]amino]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)CCCNc1ccc(-c2cc3c(C(=O)NC)cnc(NC(=O)C4CC4)c3[nH]2)c(OC)c1
InChIInChI=1S/C25H30N6O4/c1-26-21(32)5-4-10-28-15-8-9-16(20(11-15)35-3)19-12-17-18(25(34)27-2)13-29-23(22(17)30-19)31-24(33)14-6-7-14/h8-9,11-14,28,30H,4-7,10H2,1-3H3,(H,26,32)(H,27,34)(H,29,31,33)
InChIKeyOIUWBCRMVKZADO-UHFFFAOYSA-N
XLogP2.88
TPSA137.24 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 52.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-[[4-(methylamino)-4-oxobutyl]amino]phenyl]-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-[2-methoxy-4-[[4-(methylamino)-4-oxobutyl]amino]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-[[4-(methylamino)-4-oxobutyl]amino]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146592281) is 7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-[[4-(methylamino)-4-oxobutyl]amino]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-[[4-(methylamino)-4-oxobutyl]amino]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-[[4-(methylamino)-4-oxobutyl]amino]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)CCCNc1ccc(-c2cc3c(C(=O)NC)cnc(NC(=O)C4CC4)c3[nH]2)c(OC)c1.
What is the InChIKey of 7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-[[4-(methylamino)-4-oxobutyl]amino]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is OIUWBCRMVKZADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O4/c1-26-21(32)5-4-10-28-15-8-9-16(20(11-15)35-3)19-12-17-18(25(34)27-2)13-29-23(22(17)30-19)31-24(33)14-6-7-14/h8-9,11-14,28,30H,4-7,10H2,1-3H3,(H,26,32)(H,27,34)(H,29,31,33).
What are the key properties of 7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-[[4-(methylamino)-4-oxobutyl]amino]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-[[4-(methylamino)-4-oxobutyl]amino]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 2.88, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-[[4-(methylamino)-4-oxobutyl]amino]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146592281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).