4-[3-(2,3-dihydro-1H-indene-2-carbonylamino)-2-methylphenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide

C33H31N5O3 — CID 70651695

IUPAC4-[3-(2,3-dihydro-1H-indene-2-carbonylamino)-2-methylphenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide
SMILESCc1c(NC(=O)C2Cc3ccccc3C2)cccc1-c1cnc(C(N)=O)c2[nH]c3cc(N4CCOCC4)ccc3c12
InChIInChI=1S/C33H31N5O3/c1-19-24(7-4-8-27(19)37-33(40)22-15-20-5-2-3-6-21(20)16-22)26-18-35-31(32(34)39)30-29(26)25-10-9-23(17-28(25)36-30)38-11-13-41-14-12-38/h2-10,17-18,22,36H,11-16H2,1H3,(H2,34,39)(H,37,40)
InChIKeyFKLPPOLTSTVBCA-UHFFFAOYSA-N
MW545.64 g/mol
LogP4.98
Rot. Bonds5

About 4-[3-(2,3-dihydro-1H-indene-2-carbonylamino)-2-methylphenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide

4-[3-(2,3-dihydro-1H-indene-2-carbonylamino)-2-methylphenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide (PubChem CID 70651695) has the molecular formula C33H31N5O3 and a molecular weight of 545.64 g/mol. Its IUPAC name is 4-[3-(2,3-dihydro-1H-indene-2-carbonylamino)-2-methylphenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide.

Molecular Properties

Compound Name4-[3-(2,3-dihydro-1H-indene-2-carbonylamino)-2-methylphenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide
PubChem CID70651695
Molecular FormulaC33H31N5O3
Molecular Weight545.64 g/mol
Exact Mass545.24
IUPAC Name4-[3-(2,3-dihydro-1H-indene-2-carbonylamino)-2-methylphenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide
SMILESCc1c(NC(=O)C2Cc3ccccc3C2)cccc1-c1cnc(C(N)=O)c2[nH]c3cc(N4CCOCC4)ccc3c12
InChIInChI=1S/C33H31N5O3/c1-19-24(7-4-8-27(19)37-33(40)22-15-20-5-2-3-6-21(20)16-22)26-18-35-31(32(34)39)30-29(26)25-10-9-23(17-28(25)36-30)38-11-13-41-14-12-38/h2-10,17-18,22,36H,11-16H2,1H3,(H2,34,39)(H,37,40)
InChIKeyFKLPPOLTSTVBCA-UHFFFAOYSA-N
XLogP4.98
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.64
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dihydro-1H-indene-2-carbonylamino)-2-methylphenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide?
The IUPAC name of 4-[3-(2,3-dihydro-1H-indene-2-carbonylamino)-2-methylphenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide (CID 70651695) is 4-[3-(2,3-dihydro-1H-indene-2-carbonylamino)-2-methylphenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide.
What is the SMILES notation for 4-[3-(2,3-dihydro-1H-indene-2-carbonylamino)-2-methylphenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide?
The canonical SMILES for 4-[3-(2,3-dihydro-1H-indene-2-carbonylamino)-2-methylphenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide is Cc1c(NC(=O)C2Cc3ccccc3C2)cccc1-c1cnc(C(N)=O)c2[nH]c3cc(N4CCOCC4)ccc3c12.
What is the InChIKey of 4-[3-(2,3-dihydro-1H-indene-2-carbonylamino)-2-methylphenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide?
The InChIKey is FKLPPOLTSTVBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N5O3/c1-19-24(7-4-8-27(19)37-33(40)22-15-20-5-2-3-6-21(20)16-22)26-18-35-31(32(34)39)30-29(26)25-10-9-23(17-28(25)36-30)38-11-13-41-14-12-38/h2-10,17-18,22,36H,11-16H2,1H3,(H2,34,39)(H,37,40).
What are the key properties of 4-[3-(2,3-dihydro-1H-indene-2-carbonylamino)-2-methylphenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide?
4-[3-(2,3-dihydro-1H-indene-2-carbonylamino)-2-methylphenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide has a molecular weight of 545.64 g/mol, XLogP of 4.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-dihydro-1H-indene-2-carbonylamino)-2-methylphenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide is sourced from PubChem (CID 70651695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).