[(1S)-7-methoxy-9-methyl-1',2-bis(pyridin-3-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol

C30H35N5O2 — CID 71759080

IUPAC[(1S)-7-methoxy-9-methyl-1',2-bis(pyridin-3-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1cccnc1)CC31CCN(Cc2cccnc2)CC1
InChIInChI=1S/C30H35N5O2/c1-33-26-15-24(37-2)7-8-25(26)28-29(33)27(20-36)35(19-23-6-4-12-32-17-23)21-30(28)9-13-34(14-10-30)18-22-5-3-11-31-16-22/h3-8,11-12,15-17,27,36H,9-10,13-14,18-21H2,1-2H3/t27-/m1/s1
InChIKeyHZVXCVGCJHDBPR-HHHXNRCGSA-N
MW497.64 g/mol
LogP4.06
Rot. Bonds6

About [(1S)-7-methoxy-9-methyl-1',2-bis(pyridin-3-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol

[(1S)-7-methoxy-9-methyl-1',2-bis(pyridin-3-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol (PubChem CID 71759080) has the molecular formula C30H35N5O2 and a molecular weight of 497.64 g/mol. Its IUPAC name is [(1S)-7-methoxy-9-methyl-1',2-bis(pyridin-3-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol.

Molecular Properties

Compound Name[(1S)-7-methoxy-9-methyl-1',2-bis(pyridin-3-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol
PubChem CID71759080
Molecular FormulaC30H35N5O2
Molecular Weight497.64 g/mol
Exact Mass497.28
IUPAC Name[(1S)-7-methoxy-9-methyl-1',2-bis(pyridin-3-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1cccnc1)CC31CCN(Cc2cccnc2)CC1
InChIInChI=1S/C30H35N5O2/c1-33-26-15-24(37-2)7-8-25(26)28-29(33)27(20-36)35(19-23-6-4-12-32-17-23)21-30(28)9-13-34(14-10-30)18-22-5-3-11-31-16-22/h3-8,11-12,15-17,27,36H,9-10,13-14,18-21H2,1-2H3/t27-/m1/s1
InChIKeyHZVXCVGCJHDBPR-HHHXNRCGSA-N
XLogP4.06
TPSA66.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(1S)-7-methoxy-9-methyl-1',2-bis(pyridin-3-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol with MolForge

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Related Compounds

N-butylharmine
CID 486624
N-Ethylharmine
CID 486623
Hydroxy-harmine
CID 129762063
9H-Pyrido[3,4-b]indole, 7-methoxy-1,9-dimethyl-
CID 486622
DYRK1A/B Inhibitor AnnH31
CID 9881447
3-(7-Methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-1-amine
CID 54575585
4-(7-Methoxy-1-methylpyrido[3,4-b]indol-9-yl)butan-1-amine
CID 54575586
4-(7-Methoxypyrido[3,4-b]indol-9-yl)butan-1-amine
CID 54575645
4-(1-Ethyl-7-methoxypyrido[3,4-b]indol-9-yl)butan-1-amine
CID 54575646
4-(7-Methoxy-1-propan-2-ylpyrido[3,4-b]indol-9-yl)butan-1-amine
CID 54575647
4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N-methylbutan-1-amine
CID 54575717
4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylbutan-1-amine
CID 54575718

Frequently Asked Questions

What is the IUPAC name of [(1S)-7-methoxy-9-methyl-1',2-bis(pyridin-3-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol?
The IUPAC name of [(1S)-7-methoxy-9-methyl-1',2-bis(pyridin-3-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol (CID 71759080) is [(1S)-7-methoxy-9-methyl-1',2-bis(pyridin-3-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol.
What is the SMILES notation for [(1S)-7-methoxy-9-methyl-1',2-bis(pyridin-3-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol?
The canonical SMILES for [(1S)-7-methoxy-9-methyl-1',2-bis(pyridin-3-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol is COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1cccnc1)CC31CCN(Cc2cccnc2)CC1.
What is the InChIKey of [(1S)-7-methoxy-9-methyl-1',2-bis(pyridin-3-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol?
The InChIKey is HZVXCVGCJHDBPR-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H35N5O2/c1-33-26-15-24(37-2)7-8-25(26)28-29(33)27(20-36)35(19-23-6-4-12-32-17-23)21-30(28)9-13-34(14-10-30)18-22-5-3-11-31-16-22/h3-8,11-12,15-17,27,36H,9-10,13-14,18-21H2,1-2H3/t27-/m1/s1.
What are the key properties of [(1S)-7-methoxy-9-methyl-1',2-bis(pyridin-3-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol?
[(1S)-7-methoxy-9-methyl-1',2-bis(pyridin-3-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol has a molecular weight of 497.64 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-7-methoxy-9-methyl-1',2-bis(pyridin-3-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol is sourced from PubChem (CID 71759080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).