10-methoxy-N-[2-[4-[1-[2-[(10-methoxy-7H-pyrido[4,3-c]carbazole-6-carbonyl)amino]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazole-6-carboxamide

C48H50N8O4 — CID 15156562

IUPAC10-methoxy-N-[2-[4-[1-[2-[(10-methoxy-7H-pyrido[4,3-c]carbazole-6-carbonyl)amino]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazole-6-carboxamide
SMILESCOc1ccc2[nH]c3c(C(=O)NCCN4CCC(C5CCN(CCNC(=O)c6cc7ccncc7c7c6[nH]c6ccc(OC)cc67)CC5)CC4)cc4ccncc4c3c2c1
InChIInChI=1S/C48H50N8O4/c1-59-33-3-5-41-35(25-33)43-39-27-49-13-7-31(39)23-37(45(43)53-41)47(57)51-15-21-55-17-9-29(10-18-55)30-11-19-56(20-12-30)22-16-52-48(58)38-24-32-8-14-50-28-40(32)44-36-26-34(60-2)4-6-42(36)54-46(38)44/h3-8,13-14,23-30,53-54H,9-12,15-22H2,1-2H3,(H,51,57)(H,52,58)
InChIKeySKXKYPGTJQMLSK-UHFFFAOYSA-N
MW802.98 g/mol
LogP7.65
Rot. Bonds11

About 10-methoxy-N-[2-[4-[1-[2-[(10-methoxy-7H-pyrido[4,3-c]carbazole-6-carbonyl)amino]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazole-6-carboxamide

10-methoxy-N-[2-[4-[1-[2-[(10-methoxy-7H-pyrido[4,3-c]carbazole-6-carbonyl)amino]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazole-6-carboxamide (PubChem CID 15156562) has the molecular formula C48H50N8O4 and a molecular weight of 802.98 g/mol. Its IUPAC name is 10-methoxy-N-[2-[4-[1-[2-[(10-methoxy-7H-pyrido[4,3-c]carbazole-6-carbonyl)amino]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazole-6-carboxamide.

Molecular Properties

Compound Name10-methoxy-N-[2-[4-[1-[2-[(10-methoxy-7H-pyrido[4,3-c]carbazole-6-carbonyl)amino]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazole-6-carboxamide
PubChem CID15156562
Molecular FormulaC48H50N8O4
Molecular Weight802.98 g/mol
Exact Mass802.40
IUPAC Name10-methoxy-N-[2-[4-[1-[2-[(10-methoxy-7H-pyrido[4,3-c]carbazole-6-carbonyl)amino]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazole-6-carboxamide
SMILESCOc1ccc2[nH]c3c(C(=O)NCCN4CCC(C5CCN(CCNC(=O)c6cc7ccncc7c7c6[nH]c6ccc(OC)cc67)CC5)CC4)cc4ccncc4c3c2c1
InChIInChI=1S/C48H50N8O4/c1-59-33-3-5-41-35(25-33)43-39-27-49-13-7-31(39)23-37(45(43)53-41)47(57)51-15-21-55-17-9-29(10-18-55)30-11-19-56(20-12-30)22-16-52-48(58)38-24-32-8-14-50-28-40(32)44-36-26-34(60-2)4-6-42(36)54-46(38)44/h3-8,13-14,23-30,53-54H,9-12,15-22H2,1-2H3,(H,51,57)(H,52,58)
InChIKeySKXKYPGTJQMLSK-UHFFFAOYSA-N
XLogP7.65
TPSA140.50 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.98
LogP ≤ 57.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 10-methoxy-N-[2-[4-[1-[2-[(10-methoxy-7H-pyrido[4,3-c]carbazole-6-carbonyl)amino]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazole-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-N-[2-[4-[1-[2-[(10-methoxy-7H-pyrido[4,3-c]carbazole-6-carbonyl)amino]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazole-6-carboxamide?
The IUPAC name of 10-methoxy-N-[2-[4-[1-[2-[(10-methoxy-7H-pyrido[4,3-c]carbazole-6-carbonyl)amino]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazole-6-carboxamide (CID 15156562) is 10-methoxy-N-[2-[4-[1-[2-[(10-methoxy-7H-pyrido[4,3-c]carbazole-6-carbonyl)amino]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazole-6-carboxamide.
What is the SMILES notation for 10-methoxy-N-[2-[4-[1-[2-[(10-methoxy-7H-pyrido[4,3-c]carbazole-6-carbonyl)amino]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazole-6-carboxamide?
The canonical SMILES for 10-methoxy-N-[2-[4-[1-[2-[(10-methoxy-7H-pyrido[4,3-c]carbazole-6-carbonyl)amino]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazole-6-carboxamide is COc1ccc2[nH]c3c(C(=O)NCCN4CCC(C5CCN(CCNC(=O)c6cc7ccncc7c7c6[nH]c6ccc(OC)cc67)CC5)CC4)cc4ccncc4c3c2c1.
What is the InChIKey of 10-methoxy-N-[2-[4-[1-[2-[(10-methoxy-7H-pyrido[4,3-c]carbazole-6-carbonyl)amino]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazole-6-carboxamide?
The InChIKey is SKXKYPGTJQMLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H50N8O4/c1-59-33-3-5-41-35(25-33)43-39-27-49-13-7-31(39)23-37(45(43)53-41)47(57)51-15-21-55-17-9-29(10-18-55)30-11-19-56(20-12-30)22-16-52-48(58)38-24-32-8-14-50-28-40(32)44-36-26-34(60-2)4-6-42(36)54-46(38)44/h3-8,13-14,23-30,53-54H,9-12,15-22H2,1-2H3,(H,51,57)(H,52,58).
What are the key properties of 10-methoxy-N-[2-[4-[1-[2-[(10-methoxy-7H-pyrido[4,3-c]carbazole-6-carbonyl)amino]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazole-6-carboxamide?
10-methoxy-N-[2-[4-[1-[2-[(10-methoxy-7H-pyrido[4,3-c]carbazole-6-carbonyl)amino]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazole-6-carboxamide has a molecular weight of 802.98 g/mol, XLogP of 7.65, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-N-[2-[4-[1-[2-[(10-methoxy-7H-pyrido[4,3-c]carbazole-6-carbonyl)amino]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazole-6-carboxamide is sourced from PubChem (CID 15156562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).