N-[3-[4-(1H-indazol-5-ylamino)-6-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]phenyl]butanamide

C31H33N7O2 — CID 25012088

IUPACN-[3-[4-(1H-indazol-5-ylamino)-6-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3cc(OCCN4CCCC4)ccc3n2)c1
InChIInChI=1S/C31H33N7O2/c1-2-6-29(39)33-23-8-5-7-21(17-23)30-35-28-12-10-25(40-16-15-38-13-3-4-14-38)19-26(28)31(36-30)34-24-9-11-27-22(18-24)20-32-37-27/h5,7-12,17-20H,2-4,6,13-16H2,1H3,(H,32,37)(H,33,39)(H,34,35,36)
InChIKeyHTROFVQKJODSCL-UHFFFAOYSA-N
MW535.65 g/mol
LogP6.13
Rot. Bonds10

About N-[3-[4-(1H-indazol-5-ylamino)-6-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]phenyl]butanamide

N-[3-[4-(1H-indazol-5-ylamino)-6-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]phenyl]butanamide (PubChem CID 25012088) has the molecular formula C31H33N7O2 and a molecular weight of 535.65 g/mol. Its IUPAC name is N-[3-[4-(1H-indazol-5-ylamino)-6-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[4-(1H-indazol-5-ylamino)-6-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]phenyl]butanamide
PubChem CID25012088
Molecular FormulaC31H33N7O2
Molecular Weight535.65 g/mol
Exact Mass535.27
IUPAC NameN-[3-[4-(1H-indazol-5-ylamino)-6-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3cc(OCCN4CCCC4)ccc3n2)c1
InChIInChI=1S/C31H33N7O2/c1-2-6-29(39)33-23-8-5-7-21(17-23)30-35-28-12-10-25(40-16-15-38-13-3-4-14-38)19-26(28)31(36-30)34-24-9-11-27-22(18-24)20-32-37-27/h5,7-12,17-20H,2-4,6,13-16H2,1H3,(H,32,37)(H,33,39)(H,34,35,36)
InChIKeyHTROFVQKJODSCL-UHFFFAOYSA-N
XLogP6.13
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 56.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[3-[4-(1H-indazol-5-ylamino)-6-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]phenyl]butanamide 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

Tucatinib
CID 51039094
2-(3-(4-(1H-Indazol-5-ylamino)-2-quinazolinyl)phenoxy)-N-(1-methylethyl)acetamide
CID 11950170
Belumosudil Mesylate
CID 146025939
3-[2-(Morpholin-4-Yl)pyridin-4-Yl]-5-[(Propan-2-Yl)oxy]-1h-Indazole
CID 90400979
1-(4-(benzyloxy)phenyl)-3-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl)phenyl)urea
CID 44587530
1-(3-Tert-butyl-1-quinolin-6-ylpyrazol-5-yl)-3-(4-quinazolin-6-yloxyphenyl)urea
CID 134294498
(E)-N-[4-[(1-benzylindazol-5-yl)amino]-7-(2-methoxyethoxy)quinazolin-6-yl]-4-(dimethylamino)but-2-enamide
CID 134154754
6-(4-ethoxyphenyl)-N-(1H-indazol-5-yl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-1-amine
CID 11596752
5-[(1R)-1-methyl-2-oxo-2-pyrrolidin-1-ylethoxy]-N-[1-(pyridin-2-ylmethyl)-1H-indazol-5-yl]quinazolin-4-amine
CID 16117087
N-(3-(4-(1H-indazol-5-ylamino)-6-(2-methoxyethoxy)quinazolin-2-yl)phenyl)butyramide
CID 25012250
N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 68290829
3-(2-(4-(4H-1,2,4-triazol-4-yl)piperidin-1-yl)pyridin-4-yl)-5-isopropoxy-1H-indazole
CID 90400705

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1H-indazol-5-ylamino)-6-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]phenyl]butanamide?
The IUPAC name of N-[3-[4-(1H-indazol-5-ylamino)-6-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]phenyl]butanamide (CID 25012088) is N-[3-[4-(1H-indazol-5-ylamino)-6-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]phenyl]butanamide.
What is the SMILES notation for N-[3-[4-(1H-indazol-5-ylamino)-6-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]phenyl]butanamide?
The canonical SMILES for N-[3-[4-(1H-indazol-5-ylamino)-6-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]phenyl]butanamide is CCCC(=O)Nc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3cc(OCCN4CCCC4)ccc3n2)c1.
What is the InChIKey of N-[3-[4-(1H-indazol-5-ylamino)-6-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]phenyl]butanamide?
The InChIKey is HTROFVQKJODSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N7O2/c1-2-6-29(39)33-23-8-5-7-21(17-23)30-35-28-12-10-25(40-16-15-38-13-3-4-14-38)19-26(28)31(36-30)34-24-9-11-27-22(18-24)20-32-37-27/h5,7-12,17-20H,2-4,6,13-16H2,1H3,(H,32,37)(H,33,39)(H,34,35,36).
What are the key properties of N-[3-[4-(1H-indazol-5-ylamino)-6-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]phenyl]butanamide?
N-[3-[4-(1H-indazol-5-ylamino)-6-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]phenyl]butanamide has a molecular weight of 535.65 g/mol, XLogP of 6.13, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(1H-indazol-5-ylamino)-6-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]phenyl]butanamide is sourced from PubChem (CID 25012088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).