9-[4-[(3-methylpyrrol-1-yl)sulfonylmethyl]cyclohexyl]-3H-pyrrolo[2,3-c][2,7]naphthyridine

C22H24N4O2S — CID 141349510

IUPAC9-[4-[(3-methylpyrrol-1-yl)sulfonylmethyl]cyclohexyl]-3H-pyrrolo[2,3-c][2,7]naphthyridine
SMILESCc1ccn(S(=O)(=O)CC2CCC(c3cncc4cnc5[nH]ccc5c34)CC2)c1
InChIInChI=1S/C22H24N4O2S/c1-15-7-9-26(13-15)29(27,28)14-16-2-4-17(5-3-16)20-12-23-10-18-11-25-22-19(21(18)20)6-8-24-22/h6-13,16-17H,2-5,14H2,1H3,(H,24,25)
InChIKeyHOOGMGXJJJOMKD-UHFFFAOYSA-N
MW408.53 g/mol
LogP4.37
Rot. Bonds4

About 9-[4-[(3-methylpyrrol-1-yl)sulfonylmethyl]cyclohexyl]-3H-pyrrolo[2,3-c][2,7]naphthyridine

9-[4-[(3-methylpyrrol-1-yl)sulfonylmethyl]cyclohexyl]-3H-pyrrolo[2,3-c][2,7]naphthyridine (PubChem CID 141349510) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 9-[4-[(3-methylpyrrol-1-yl)sulfonylmethyl]cyclohexyl]-3H-pyrrolo[2,3-c][2,7]naphthyridine.

Molecular Properties

Compound Name9-[4-[(3-methylpyrrol-1-yl)sulfonylmethyl]cyclohexyl]-3H-pyrrolo[2,3-c][2,7]naphthyridine
PubChem CID141349510
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name9-[4-[(3-methylpyrrol-1-yl)sulfonylmethyl]cyclohexyl]-3H-pyrrolo[2,3-c][2,7]naphthyridine
SMILESCc1ccn(S(=O)(=O)CC2CCC(c3cncc4cnc5[nH]ccc5c34)CC2)c1
InChIInChI=1S/C22H24N4O2S/c1-15-7-9-26(13-15)29(27,28)14-16-2-4-17(5-3-16)20-12-23-10-18-11-25-22-19(21(18)20)6-8-24-22/h6-13,16-17H,2-5,14H2,1H3,(H,24,25)
InChIKeyHOOGMGXJJJOMKD-UHFFFAOYSA-N
XLogP4.37
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[4-(methylsulfonylmethyl)cyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol
CID 123897610
2,2,2-trifluoro-N-[1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)pyrrolidin-3-yl]ethanesulfonamide
CID 123226752
1-[[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]methylsulfonyl]piperidin-4-ol
CID 51354806
1-[4-[4-(methoxymethyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]cyclohexyl]-N-methylmethanesulfonamide
CID 118408696
[1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)piperidin-3-yl] N-(cyanomethyl)carbamate
CID 130362117
6-methyl-1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 140632553
(3R,4R)-1-[[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]methylsulfonyl]pyrrolidine-3,4-diol
CID 51355382
N-[2-(4-methylphenyl)ethyl]-1-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]methanesulfonamide
CID 53250201
1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 123985967
N-[[3-[4-(cyanomethyl)cyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]methyl]ethanesulfonamide
CID 163926356
N-[4-[[4-(5,6-dimethyl-2-pyridinyl)piperazin-1-yl]sulfonylmethyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 58293111
2-[4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaen-4-yl)cyclohexyl]acetonitrile
CID 163362976

Frequently Asked Questions

What is the IUPAC name of 9-[4-[(3-methylpyrrol-1-yl)sulfonylmethyl]cyclohexyl]-3H-pyrrolo[2,3-c][2,7]naphthyridine?
The IUPAC name of 9-[4-[(3-methylpyrrol-1-yl)sulfonylmethyl]cyclohexyl]-3H-pyrrolo[2,3-c][2,7]naphthyridine (CID 141349510) is 9-[4-[(3-methylpyrrol-1-yl)sulfonylmethyl]cyclohexyl]-3H-pyrrolo[2,3-c][2,7]naphthyridine.
What is the SMILES notation for 9-[4-[(3-methylpyrrol-1-yl)sulfonylmethyl]cyclohexyl]-3H-pyrrolo[2,3-c][2,7]naphthyridine?
The canonical SMILES for 9-[4-[(3-methylpyrrol-1-yl)sulfonylmethyl]cyclohexyl]-3H-pyrrolo[2,3-c][2,7]naphthyridine is Cc1ccn(S(=O)(=O)CC2CCC(c3cncc4cnc5[nH]ccc5c34)CC2)c1.
What is the InChIKey of 9-[4-[(3-methylpyrrol-1-yl)sulfonylmethyl]cyclohexyl]-3H-pyrrolo[2,3-c][2,7]naphthyridine?
The InChIKey is HOOGMGXJJJOMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-15-7-9-26(13-15)29(27,28)14-16-2-4-17(5-3-16)20-12-23-10-18-11-25-22-19(21(18)20)6-8-24-22/h6-13,16-17H,2-5,14H2,1H3,(H,24,25).
What are the key properties of 9-[4-[(3-methylpyrrol-1-yl)sulfonylmethyl]cyclohexyl]-3H-pyrrolo[2,3-c][2,7]naphthyridine?
9-[4-[(3-methylpyrrol-1-yl)sulfonylmethyl]cyclohexyl]-3H-pyrrolo[2,3-c][2,7]naphthyridine has a molecular weight of 408.53 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[(3-methylpyrrol-1-yl)sulfonylmethyl]cyclohexyl]-3H-pyrrolo[2,3-c][2,7]naphthyridine is sourced from PubChem (CID 141349510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).