3-methyl-1-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol

C30H28N6O — CID 137308959

IUPAC3-methyl-1-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol
SMILESCC(C)CC(O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C30H28N6O/c1-18(2)12-29(37)33-22-13-21(16-32-17-22)20-6-7-27-25(14-20)30(36-35-27)28-15-24-23(4-3-5-26(24)34-28)19-8-10-31-11-9-19/h3-11,13-18,29,33-34,37H,12H2,1-2H3,(H,35,36)
InChIKeyICNRXDZFQRIDEC-UHFFFAOYSA-N
MW488.60 g/mol
LogP6.61
Rot. Bonds7

About 3-methyl-1-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol

3-methyl-1-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol (PubChem CID 137308959) has the molecular formula C30H28N6O and a molecular weight of 488.60 g/mol. Its IUPAC name is 3-methyl-1-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol
PubChem CID137308959
Molecular FormulaC30H28N6O
Molecular Weight488.60 g/mol
Exact Mass488.23
IUPAC Name3-methyl-1-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol
SMILESCC(C)CC(O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C30H28N6O/c1-18(2)12-29(37)33-22-13-21(16-32-17-22)20-6-7-27-25(14-20)30(36-35-27)28-15-24-23(4-3-5-26(24)34-28)19-8-10-31-11-9-19/h3-11,13-18,29,33-34,37H,12H2,1-2H3,(H,35,36)
InChIKeyICNRXDZFQRIDEC-UHFFFAOYSA-N
XLogP6.61
TPSA102.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.60
LogP ≤ 56.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol
CID 137308957
5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
CID 137088527
1-[[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-3-methylbutan-1-ol
CID 137281334
1-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-3,3-dimethylbutan-1-ol
CID 137308960
N-(1-cyclopentylethenyl)-5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 145248245
N-[3-fluoro-5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 137115221
5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137113293
N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137116750
3-methyl-1-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol
CID 137286954
N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137116095
N-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137114705
5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137116351

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol?
The IUPAC name of 3-methyl-1-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol (CID 137308959) is 3-methyl-1-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol.
What is the SMILES notation for 3-methyl-1-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol?
The canonical SMILES for 3-methyl-1-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol is CC(C)CC(O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)cccc5[nH]4)c3c2)c1.
What is the InChIKey of 3-methyl-1-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol?
The InChIKey is ICNRXDZFQRIDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O/c1-18(2)12-29(37)33-22-13-21(16-32-17-22)20-6-7-27-25(14-20)30(36-35-27)28-15-24-23(4-3-5-26(24)34-28)19-8-10-31-11-9-19/h3-11,13-18,29,33-34,37H,12H2,1-2H3,(H,35,36).
What are the key properties of 3-methyl-1-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol?
3-methyl-1-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol has a molecular weight of 488.60 g/mol, XLogP of 6.61, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol is sourced from PubChem (CID 137308959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).