N-cyclopropyl-N-[3-[3-methyl-8-[(1-methylpiperidin-4-yl)methoxy]-9H-pyrido[2,3-b]indol-5-yl]phenyl]formamide

C29H32N4O2 — CID 141247930

IUPACN-cyclopropyl-N-[3-[3-methyl-8-[(1-methylpiperidin-4-yl)methoxy]-9H-pyrido[2,3-b]indol-5-yl]phenyl]formamide
SMILESCc1cnc2[nH]c3c(OCC4CCN(C)CC4)ccc(-c4cccc(N(C=O)C5CC5)c4)c3c2c1
InChIInChI=1S/C29H32N4O2/c1-19-14-25-27-24(21-4-3-5-23(15-21)33(18-34)22-6-7-22)8-9-26(28(27)31-29(25)30-16-19)35-17-20-10-12-32(2)13-11-20/h3-5,8-9,14-16,18,20,22H,6-7,10-13,17H2,1-2H3,(H,30,31)
InChIKeyOWXDFNLLGWQARI-UHFFFAOYSA-N
MW468.60 g/mol
LogP5.54
Rot. Bonds7

About N-cyclopropyl-N-[3-[3-methyl-8-[(1-methylpiperidin-4-yl)methoxy]-9H-pyrido[2,3-b]indol-5-yl]phenyl]formamide

N-cyclopropyl-N-[3-[3-methyl-8-[(1-methylpiperidin-4-yl)methoxy]-9H-pyrido[2,3-b]indol-5-yl]phenyl]formamide (PubChem CID 141247930) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-cyclopropyl-N-[3-[3-methyl-8-[(1-methylpiperidin-4-yl)methoxy]-9H-pyrido[2,3-b]indol-5-yl]phenyl]formamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[3-[3-methyl-8-[(1-methylpiperidin-4-yl)methoxy]-9H-pyrido[2,3-b]indol-5-yl]phenyl]formamide
PubChem CID141247930
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC NameN-cyclopropyl-N-[3-[3-methyl-8-[(1-methylpiperidin-4-yl)methoxy]-9H-pyrido[2,3-b]indol-5-yl]phenyl]formamide
SMILESCc1cnc2[nH]c3c(OCC4CCN(C)CC4)ccc(-c4cccc(N(C=O)C5CC5)c4)c3c2c1
InChIInChI=1S/C29H32N4O2/c1-19-14-25-27-24(21-4-3-5-23(15-21)33(18-34)22-6-7-22)8-9-26(28(27)31-29(25)30-16-19)35-17-20-10-12-32(2)13-11-20/h3-5,8-9,14-16,18,20,22H,6-7,10-13,17H2,1-2H3,(H,30,31)
InChIKeyOWXDFNLLGWQARI-UHFFFAOYSA-N
XLogP5.54
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-N-[3-[3-methyl-8-[(1-methylpiperidin-4-yl)methoxy]-9H-pyrido[2,3-b]indol-5-yl]phenyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[3-[3-methyl-8-[(1-methylpiperidin-4-yl)methoxy]-9H-pyrido[2,3-b]indol-5-yl]phenyl]formamide?
The IUPAC name of N-cyclopropyl-N-[3-[3-methyl-8-[(1-methylpiperidin-4-yl)methoxy]-9H-pyrido[2,3-b]indol-5-yl]phenyl]formamide (CID 141247930) is N-cyclopropyl-N-[3-[3-methyl-8-[(1-methylpiperidin-4-yl)methoxy]-9H-pyrido[2,3-b]indol-5-yl]phenyl]formamide.
What is the SMILES notation for N-cyclopropyl-N-[3-[3-methyl-8-[(1-methylpiperidin-4-yl)methoxy]-9H-pyrido[2,3-b]indol-5-yl]phenyl]formamide?
The canonical SMILES for N-cyclopropyl-N-[3-[3-methyl-8-[(1-methylpiperidin-4-yl)methoxy]-9H-pyrido[2,3-b]indol-5-yl]phenyl]formamide is Cc1cnc2[nH]c3c(OCC4CCN(C)CC4)ccc(-c4cccc(N(C=O)C5CC5)c4)c3c2c1.
What is the InChIKey of N-cyclopropyl-N-[3-[3-methyl-8-[(1-methylpiperidin-4-yl)methoxy]-9H-pyrido[2,3-b]indol-5-yl]phenyl]formamide?
The InChIKey is OWXDFNLLGWQARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-19-14-25-27-24(21-4-3-5-23(15-21)33(18-34)22-6-7-22)8-9-26(28(27)31-29(25)30-16-19)35-17-20-10-12-32(2)13-11-20/h3-5,8-9,14-16,18,20,22H,6-7,10-13,17H2,1-2H3,(H,30,31).
What are the key properties of N-cyclopropyl-N-[3-[3-methyl-8-[(1-methylpiperidin-4-yl)methoxy]-9H-pyrido[2,3-b]indol-5-yl]phenyl]formamide?
N-cyclopropyl-N-[3-[3-methyl-8-[(1-methylpiperidin-4-yl)methoxy]-9H-pyrido[2,3-b]indol-5-yl]phenyl]formamide has a molecular weight of 468.60 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[3-[3-methyl-8-[(1-methylpiperidin-4-yl)methoxy]-9H-pyrido[2,3-b]indol-5-yl]phenyl]formamide is sourced from PubChem (CID 141247930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).