[(1S)-1'-(cyclopropylmethyl)-7-methoxy-2-[(2-methoxyphenyl)methyl]-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol

C30H39N3O3 — CID 71759006

IUPAC[(1S)-1'-(cyclopropylmethyl)-7-methoxy-2-[(2-methoxyphenyl)methyl]-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1OC)CC31CCN(CC2CC2)CC1
InChIInChI=1S/C30H39N3O3/c1-31-25-16-23(35-2)10-11-24(25)28-29(31)26(19-34)33(18-22-6-4-5-7-27(22)36-3)20-30(28)12-14-32(15-13-30)17-21-8-9-21/h4-7,10-11,16,21,26,34H,8-9,12-15,17-20H2,1-3H3/t26-/m1/s1
InChIKeyWQJUCIUXIHDDDG-AREMUKBSSA-N
MW489.66 g/mol
LogP4.49
Rot. Bonds7

About [(1S)-1'-(cyclopropylmethyl)-7-methoxy-2-[(2-methoxyphenyl)methyl]-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol

[(1S)-1'-(cyclopropylmethyl)-7-methoxy-2-[(2-methoxyphenyl)methyl]-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol (PubChem CID 71759006) has the molecular formula C30H39N3O3 and a molecular weight of 489.66 g/mol. Its IUPAC name is [(1S)-1'-(cyclopropylmethyl)-7-methoxy-2-[(2-methoxyphenyl)methyl]-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol.

Molecular Properties

Compound Name[(1S)-1'-(cyclopropylmethyl)-7-methoxy-2-[(2-methoxyphenyl)methyl]-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol
PubChem CID71759006
Molecular FormulaC30H39N3O3
Molecular Weight489.66 g/mol
Exact Mass489.30
IUPAC Name[(1S)-1'-(cyclopropylmethyl)-7-methoxy-2-[(2-methoxyphenyl)methyl]-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1OC)CC31CCN(CC2CC2)CC1
InChIInChI=1S/C30H39N3O3/c1-31-25-16-23(35-2)10-11-24(25)28-29(31)26(19-34)33(18-22-6-4-5-7-27(22)36-3)20-30(28)12-14-32(15-13-30)17-21-8-9-21/h4-7,10-11,16,21,26,34H,8-9,12-15,17-20H2,1-3H3/t26-/m1/s1
InChIKeyWQJUCIUXIHDDDG-AREMUKBSSA-N
XLogP4.49
TPSA50.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.66
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(1S)-1'-(cyclopropylmethyl)-7-methoxy-2-[(2-methoxyphenyl)methyl]-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1'-(cyclopropylmethyl)-7-methoxy-2-[(2-methoxyphenyl)methyl]-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol?
The IUPAC name of [(1S)-1'-(cyclopropylmethyl)-7-methoxy-2-[(2-methoxyphenyl)methyl]-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol (CID 71759006) is [(1S)-1'-(cyclopropylmethyl)-7-methoxy-2-[(2-methoxyphenyl)methyl]-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol.
What is the SMILES notation for [(1S)-1'-(cyclopropylmethyl)-7-methoxy-2-[(2-methoxyphenyl)methyl]-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol?
The canonical SMILES for [(1S)-1'-(cyclopropylmethyl)-7-methoxy-2-[(2-methoxyphenyl)methyl]-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol is COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1OC)CC31CCN(CC2CC2)CC1.
What is the InChIKey of [(1S)-1'-(cyclopropylmethyl)-7-methoxy-2-[(2-methoxyphenyl)methyl]-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol?
The InChIKey is WQJUCIUXIHDDDG-AREMUKBSSA-N. The full InChI is InChI=1S/C30H39N3O3/c1-31-25-16-23(35-2)10-11-24(25)28-29(31)26(19-34)33(18-22-6-4-5-7-27(22)36-3)20-30(28)12-14-32(15-13-30)17-21-8-9-21/h4-7,10-11,16,21,26,34H,8-9,12-15,17-20H2,1-3H3/t26-/m1/s1.
What are the key properties of [(1S)-1'-(cyclopropylmethyl)-7-methoxy-2-[(2-methoxyphenyl)methyl]-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol?
[(1S)-1'-(cyclopropylmethyl)-7-methoxy-2-[(2-methoxyphenyl)methyl]-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol has a molecular weight of 489.66 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1'-(cyclopropylmethyl)-7-methoxy-2-[(2-methoxyphenyl)methyl]-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol is sourced from PubChem (CID 71759006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).