N-[3-[4-(1H-indazol-5-ylamino)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]phenyl]pyridine-3-carboxamide

C35H34N8O4 — CID 25011913

IUPACN-[3-[4-(1H-indazol-5-ylamino)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]phenyl]pyridine-3-carboxamide
SMILESCOc1cc2nc(-c3cccc(NC(=O)c4cccnc4)c3)nc(Nc3ccc4[nH]ncc4c3)c2cc1OCCCN1CCOCC1
InChIInChI=1S/C35H34N8O4/c1-45-31-20-30-28(19-32(31)47-14-4-11-43-12-15-46-16-13-43)34(38-27-8-9-29-25(18-27)22-37-42-29)41-33(40-30)23-5-2-7-26(17-23)39-35(44)24-6-3-10-36-21-24/h2-3,5-10,17-22H,4,11-16H2,1H3,(H,37,42)(H,39,44)(H,38,40,41)
InChIKeyAHBQWQVXLLQFCO-UHFFFAOYSA-N
MW630.71 g/mol
LogP5.67
Rot. Bonds11

About N-[3-[4-(1H-indazol-5-ylamino)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]phenyl]pyridine-3-carboxamide

N-[3-[4-(1H-indazol-5-ylamino)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]phenyl]pyridine-3-carboxamide (PubChem CID 25011913) has the molecular formula C35H34N8O4 and a molecular weight of 630.71 g/mol. Its IUPAC name is N-[3-[4-(1H-indazol-5-ylamino)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(1H-indazol-5-ylamino)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]phenyl]pyridine-3-carboxamide
PubChem CID25011913
Molecular FormulaC35H34N8O4
Molecular Weight630.71 g/mol
Exact Mass630.27
IUPAC NameN-[3-[4-(1H-indazol-5-ylamino)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]phenyl]pyridine-3-carboxamide
SMILESCOc1cc2nc(-c3cccc(NC(=O)c4cccnc4)c3)nc(Nc3ccc4[nH]ncc4c3)c2cc1OCCCN1CCOCC1
InChIInChI=1S/C35H34N8O4/c1-45-31-20-30-28(19-32(31)47-14-4-11-43-12-15-46-16-13-43)34(38-27-8-9-29-25(18-27)22-37-42-29)41-33(40-30)23-5-2-7-26(17-23)39-35(44)24-6-3-10-36-21-24/h2-3,5-10,17-22H,4,11-16H2,1H3,(H,37,42)(H,39,44)(H,38,40,41)
InChIKeyAHBQWQVXLLQFCO-UHFFFAOYSA-N
XLogP5.67
TPSA139.41 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.71
LogP ≤ 55.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[3-[4-(1H-indazol-5-ylamino)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]phenyl]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

[2-[3-[4-(1H-indazol-5-ylamino)-7-methoxy-6-(2-methoxyethoxy)quinazolin-2-yl]anilino]-1-morpholin-4-yl-2-oxoethyl] 2,2,2-trifluoroacetate
CID 67134725
N-[3-[6-[2-(dimethylamino)ethoxy]-4-(2H-indazol-5-ylamino)-7-methoxyquinazolin-2-yl]phenyl]pyridine-3-carboxamide
CID 137154799
N-(1H-indazol-5-yl)-7-methoxy-6-(2-morpholin-4-ylethoxy)-2-(5-phenylcyclohexa-1,5-dien-1-yl)quinazolin-4-amine
CID 91268583
2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine
CID 89271177
3-methoxy-N-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]benzamide
CID 66550689
tert-butyl 5-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)-2-(3-nitrosophenyl)quinazolin-4-yl]amino]indazole-1-carboxylate
CID 88854674
7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-pyridin-3-ylquinazolin-4-amine
CID 151014604
N-[3-[6-[(1R)-2-butylcyclopropyl]-4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-2-morpholin-4-ylacetamide
CID 66828704
N-(2-aminophenyl)-4-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzamide
CID 71471023
N-[3-[6-[3-(dimethylamino)propoxy]-4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]butanamide
CID 25014425
5-[[6-hydroxy-7-methoxy-2-[3-[(2-morpholin-4-ylacetyl)amino]phenyl]quinazolin-4-yl]amino]indazole-1-carboxylic acid
CID 68790415
N-[3-(difluoromethoxy)phenyl]-7-methoxy-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine
CID 71180101

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1H-indazol-5-ylamino)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[4-(1H-indazol-5-ylamino)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]phenyl]pyridine-3-carboxamide (CID 25011913) is N-[3-[4-(1H-indazol-5-ylamino)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[4-(1H-indazol-5-ylamino)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[4-(1H-indazol-5-ylamino)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]phenyl]pyridine-3-carboxamide is COc1cc2nc(-c3cccc(NC(=O)c4cccnc4)c3)nc(Nc3ccc4[nH]ncc4c3)c2cc1OCCCN1CCOCC1.
What is the InChIKey of N-[3-[4-(1H-indazol-5-ylamino)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is AHBQWQVXLLQFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N8O4/c1-45-31-20-30-28(19-32(31)47-14-4-11-43-12-15-46-16-13-43)34(38-27-8-9-29-25(18-27)22-37-42-29)41-33(40-30)23-5-2-7-26(17-23)39-35(44)24-6-3-10-36-21-24/h2-3,5-10,17-22H,4,11-16H2,1H3,(H,37,42)(H,39,44)(H,38,40,41).
What are the key properties of N-[3-[4-(1H-indazol-5-ylamino)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]phenyl]pyridine-3-carboxamide?
N-[3-[4-(1H-indazol-5-ylamino)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 630.71 g/mol, XLogP of 5.67, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(1H-indazol-5-ylamino)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 25011913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).