3-[4-(methoxymethyl)-4-methylcyclohexyl]-1H-pyrrolo[3,2-b]pyridine

C16H22N2O — CID 156504090

IUPAC3-[4-(methoxymethyl)-4-methylcyclohexyl]-1H-pyrrolo[3,2-b]pyridine
SMILESCOCC1(C)CCC(c2c[nH]c3cccnc23)CC1
InChIInChI=1S/C16H22N2O/c1-16(11-19-2)7-5-12(6-8-16)13-10-18-14-4-3-9-17-15(13)14/h3-4,9-10,12,18H,5-8,11H2,1-2H3
InChIKeyVQBPIYISPFUNTC-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.87
Rot. Bonds3

About 3-[4-(methoxymethyl)-4-methylcyclohexyl]-1H-pyrrolo[3,2-b]pyridine

3-[4-(methoxymethyl)-4-methylcyclohexyl]-1H-pyrrolo[3,2-b]pyridine (PubChem CID 156504090) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-[4-(methoxymethyl)-4-methylcyclohexyl]-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-[4-(methoxymethyl)-4-methylcyclohexyl]-1H-pyrrolo[3,2-b]pyridine
PubChem CID156504090
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-[4-(methoxymethyl)-4-methylcyclohexyl]-1H-pyrrolo[3,2-b]pyridine
SMILESCOCC1(C)CCC(c2c[nH]c3cccnc23)CC1
InChIInChI=1S/C16H22N2O/c1-16(11-19-2)7-5-12(6-8-16)13-10-18-14-4-3-9-17-15(13)14/h3-4,9-10,12,18H,5-8,11H2,1-2H3
InChIKeyVQBPIYISPFUNTC-UHFFFAOYSA-N
XLogP3.87
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,6R)-2,6-dimethyl-4-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]methyl]morpholine
CID 156504066
3-(3-methoxyphenyl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 112533887
(5-chloro-2-methoxyphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 84579932
(2-hydroxyphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 84580016
3-propyl-1H-pyrrolo[3,2-b]pyridine
CID 23521600
2-(3-chlorophenyl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]ethanone
CID 112533822
(3-bromophenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 110476889
3-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine
CID 67247276
8-[1-(methoxymethyl)cyclopropyl]quinoline
CID 141434514
4-[(4-methylpiperidin-4-yl)methoxy]-3-(1-methylsulfanylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 153397459
N,N-dimethyl-2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetamide
CID 57421416
2-[2,5-bis(methoxymethyl)pyrrolidin-1-yl]-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile
CID 10334971

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methoxymethyl)-4-methylcyclohexyl]-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 3-[4-(methoxymethyl)-4-methylcyclohexyl]-1H-pyrrolo[3,2-b]pyridine (CID 156504090) is 3-[4-(methoxymethyl)-4-methylcyclohexyl]-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-[4-(methoxymethyl)-4-methylcyclohexyl]-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-[4-(methoxymethyl)-4-methylcyclohexyl]-1H-pyrrolo[3,2-b]pyridine is COCC1(C)CCC(c2c[nH]c3cccnc23)CC1.
What is the InChIKey of 3-[4-(methoxymethyl)-4-methylcyclohexyl]-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is VQBPIYISPFUNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-16(11-19-2)7-5-12(6-8-16)13-10-18-14-4-3-9-17-15(13)14/h3-4,9-10,12,18H,5-8,11H2,1-2H3.
What are the key properties of 3-[4-(methoxymethyl)-4-methylcyclohexyl]-1H-pyrrolo[3,2-b]pyridine?
3-[4-(methoxymethyl)-4-methylcyclohexyl]-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 258.36 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methoxymethyl)-4-methylcyclohexyl]-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 156504090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).