N-benzyl-4-[(6-methoxy-1H-indazol-5-yl)amino]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-6-carboxamide

C26H25N7O2 — CID 72549494

IUPACN-benzyl-4-[(6-methoxy-1H-indazol-5-yl)amino]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-6-carboxamide
SMILESCOc1cc2[nH]ncc2cc1Nc1ncnc2[nH]c3c(c12)CC(C(=O)NCc1ccccc1)CC3
InChIInChI=1S/C26H25N7O2/c1-35-22-11-20-17(13-30-33-20)10-21(22)32-25-23-18-9-16(7-8-19(18)31-24(23)28-14-29-25)26(34)27-12-15-5-3-2-4-6-15/h2-6,10-11,13-14,16H,7-9,12H2,1H3,(H,27,34)(H,30,33)(H2,28,29,31,32)
InChIKeyZVTOPUTUABIMNX-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.01
Rot. Bonds6

About N-benzyl-4-[(6-methoxy-1H-indazol-5-yl)amino]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-6-carboxamide

N-benzyl-4-[(6-methoxy-1H-indazol-5-yl)amino]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-6-carboxamide (PubChem CID 72549494) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-benzyl-4-[(6-methoxy-1H-indazol-5-yl)amino]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[(6-methoxy-1H-indazol-5-yl)amino]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-6-carboxamide
PubChem CID72549494
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC NameN-benzyl-4-[(6-methoxy-1H-indazol-5-yl)amino]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-6-carboxamide
SMILESCOc1cc2[nH]ncc2cc1Nc1ncnc2[nH]c3c(c12)CC(C(=O)NCc1ccccc1)CC3
InChIInChI=1S/C26H25N7O2/c1-35-22-11-20-17(13-30-33-20)10-21(22)32-25-23-18-9-16(7-8-19(18)31-24(23)28-14-29-25)26(34)27-12-15-5-3-2-4-6-15/h2-6,10-11,13-14,16H,7-9,12H2,1H3,(H,27,34)(H,30,33)(H2,28,29,31,32)
InChIKeyZVTOPUTUABIMNX-UHFFFAOYSA-N
XLogP4.01
TPSA120.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-benzyl-4-[(6-methoxy-1H-indazol-5-yl)amino]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-6-carboxamide 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-benzyl-4-[(6-methoxy-1H-indazol-5-yl)amino]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-6-carboxamide?
The IUPAC name of N-benzyl-4-[(6-methoxy-1H-indazol-5-yl)amino]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-6-carboxamide (CID 72549494) is N-benzyl-4-[(6-methoxy-1H-indazol-5-yl)amino]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-6-carboxamide.
What is the SMILES notation for N-benzyl-4-[(6-methoxy-1H-indazol-5-yl)amino]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-6-carboxamide?
The canonical SMILES for N-benzyl-4-[(6-methoxy-1H-indazol-5-yl)amino]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-6-carboxamide is COc1cc2[nH]ncc2cc1Nc1ncnc2[nH]c3c(c12)CC(C(=O)NCc1ccccc1)CC3.
What is the InChIKey of N-benzyl-4-[(6-methoxy-1H-indazol-5-yl)amino]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-6-carboxamide?
The InChIKey is ZVTOPUTUABIMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2/c1-35-22-11-20-17(13-30-33-20)10-21(22)32-25-23-18-9-16(7-8-19(18)31-24(23)28-14-29-25)26(34)27-12-15-5-3-2-4-6-15/h2-6,10-11,13-14,16H,7-9,12H2,1H3,(H,27,34)(H,30,33)(H2,28,29,31,32).
What are the key properties of N-benzyl-4-[(6-methoxy-1H-indazol-5-yl)amino]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-6-carboxamide?
N-benzyl-4-[(6-methoxy-1H-indazol-5-yl)amino]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-6-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 4.01, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(6-methoxy-1H-indazol-5-yl)amino]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-6-carboxamide is sourced from PubChem (CID 72549494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).