5-[[6-(azepane-1-carbonyl)pyrimidin-4-yl]amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one

C27H27N5O2 — CID 143808348

IUPAC5-[[6-(azepane-1-carbonyl)pyrimidin-4-yl]amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one
SMILESO=C(c1cc(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ccccc32)ncn1)N1CCCCCC1
InChIInChI=1S/C27H27N5O2/c33-25(32-11-5-1-2-6-12-32)23-14-24(29-17-28-23)30-20-10-9-18-15-27(16-19(18)13-20)21-7-3-4-8-22(21)31-26(27)34/h3-4,7-10,13-14,17H,1-2,5-6,11-12,15-16H2,(H,31,34)(H,28,29,30)
InChIKeyAERGNZXZHGDFES-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.23
Rot. Bonds3

About 5-[[6-(azepane-1-carbonyl)pyrimidin-4-yl]amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one

5-[[6-(azepane-1-carbonyl)pyrimidin-4-yl]amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one (PubChem CID 143808348) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 5-[[6-(azepane-1-carbonyl)pyrimidin-4-yl]amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name5-[[6-(azepane-1-carbonyl)pyrimidin-4-yl]amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one
PubChem CID143808348
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC Name5-[[6-(azepane-1-carbonyl)pyrimidin-4-yl]amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one
SMILESO=C(c1cc(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ccccc32)ncn1)N1CCCCCC1
InChIInChI=1S/C27H27N5O2/c33-25(32-11-5-1-2-6-12-32)23-14-24(29-17-28-23)30-20-10-9-18-15-27(16-19(18)13-20)21-7-3-4-8-22(21)31-26(27)34/h3-4,7-10,13-14,17H,1-2,5-6,11-12,15-16H2,(H,31,34)(H,28,29,30)
InChIKeyAERGNZXZHGDFES-UHFFFAOYSA-N
XLogP4.23
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[6-(azepane-1-carbonyl)pyrimidin-4-yl]amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one 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

5-[(6-but-3-ynylpyrimidin-4-yl)amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one
CID 143808285
azepan-1-yl-[6-(3,4-difluoroanilino)pyrimidin-4-yl]methanone
CID 109355695
[6-(3-chloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341728
[6-(3-bromoanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341775
N-[3-[[6-(azepane-1-carbonyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 109355648
[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341750
[6-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341792
azepan-1-yl-[6-(2-bromoanilino)pyrimidin-4-yl]methanone
CID 109355664
6-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 91329449
[6-(4-propan-2-yloxyanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341134
5'-methyl-5-[[6-(3-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]-4'-[(1Z)-penta-1,3-dienyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrole]-2'-one
CID 173477400
3,4-dimethyl-6-[6-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyrimidine-4-carbonyl]-1,3-benzoxazol-2-one
CID 58346322

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(azepane-1-carbonyl)pyrimidin-4-yl]amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one?
The IUPAC name of 5-[[6-(azepane-1-carbonyl)pyrimidin-4-yl]amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one (CID 143808348) is 5-[[6-(azepane-1-carbonyl)pyrimidin-4-yl]amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one.
What is the SMILES notation for 5-[[6-(azepane-1-carbonyl)pyrimidin-4-yl]amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one?
The canonical SMILES for 5-[[6-(azepane-1-carbonyl)pyrimidin-4-yl]amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one is O=C(c1cc(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ccccc32)ncn1)N1CCCCCC1.
What is the InChIKey of 5-[[6-(azepane-1-carbonyl)pyrimidin-4-yl]amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one?
The InChIKey is AERGNZXZHGDFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c33-25(32-11-5-1-2-6-12-32)23-14-24(29-17-28-23)30-20-10-9-18-15-27(16-19(18)13-20)21-7-3-4-8-22(21)31-26(27)34/h3-4,7-10,13-14,17H,1-2,5-6,11-12,15-16H2,(H,31,34)(H,28,29,30).
What are the key properties of 5-[[6-(azepane-1-carbonyl)pyrimidin-4-yl]amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one?
5-[[6-(azepane-1-carbonyl)pyrimidin-4-yl]amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one has a molecular weight of 453.55 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(azepane-1-carbonyl)pyrimidin-4-yl]amino]spiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one is sourced from PubChem (CID 143808348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).