tert-butyl N-[(1S,2R)-2-[[5-cyano-6-(1H-indol-7-ylamino)pyrazin-2-yl]amino]cyclohexyl]carbamate

C24H29N7O2 — CID 118131651

IUPACtert-butyl N-[(1S,2R)-2-[[5-cyano-6-(1H-indol-7-ylamino)pyrazin-2-yl]amino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1Nc1cnc(C#N)c(Nc2cccc3cc[nH]c23)n1
InChIInChI=1S/C24H29N7O2/c1-24(2,3)33-23(32)30-17-9-5-4-8-16(17)28-20-14-27-19(13-25)22(31-20)29-18-10-6-7-15-11-12-26-21(15)18/h6-7,10-12,14,16-17,26H,4-5,8-9H2,1-3H3,(H,30,32)(H2,28,29,31)/t16-,17+/m1/s1
InChIKeyYBJACOXWUFBPPS-SJORKVTESA-N
MW447.54 g/mol
LogP4.82
Rot. Bonds5

About tert-butyl N-[(1S,2R)-2-[[5-cyano-6-(1H-indol-7-ylamino)pyrazin-2-yl]amino]cyclohexyl]carbamate

tert-butyl N-[(1S,2R)-2-[[5-cyano-6-(1H-indol-7-ylamino)pyrazin-2-yl]amino]cyclohexyl]carbamate (PubChem CID 118131651) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R)-2-[[5-cyano-6-(1H-indol-7-ylamino)pyrazin-2-yl]amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2R)-2-[[5-cyano-6-(1H-indol-7-ylamino)pyrazin-2-yl]amino]cyclohexyl]carbamate
PubChem CID118131651
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Nametert-butyl N-[(1S,2R)-2-[[5-cyano-6-(1H-indol-7-ylamino)pyrazin-2-yl]amino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1Nc1cnc(C#N)c(Nc2cccc3cc[nH]c23)n1
InChIInChI=1S/C24H29N7O2/c1-24(2,3)33-23(32)30-17-9-5-4-8-16(17)28-20-14-27-19(13-25)22(31-20)29-18-10-6-7-15-11-12-26-21(15)18/h6-7,10-12,14,16-17,26H,4-5,8-9H2,1-3H3,(H,30,32)(H2,28,29,31)/t16-,17+/m1/s1
InChIKeyYBJACOXWUFBPPS-SJORKVTESA-N
XLogP4.82
TPSA127.75 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[(1S,2R)-2-[[5-cyano-6-(1H-indol-7-ylamino)pyrazin-2-yl]amino]cyclohexyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1S,2R)-2-[[6-cyano-5-[[6-(triazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]amino]cyclohexyl]carbamate
CID 131734334
tert-butyl N-[(1R,2R)-2-(2-aminoanilino)cyclohexyl]carbamate
CID 134843665
tert-butyl N-[1-[5-cyano-6-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]carbamate
CID 123872529
tert-butyl N-[(1S,2R)-2-[(5-methyl-1H-pyrazol-3-yl)amino]cyclohexyl]carbamate
CID 175178885
tert-butyl N-[2-(pyridine-2-carbonylamino)cyclohexyl]carbamate
CID 22986749
tert-butyl N-[(1R,2R)-2-[[6-carbamoyl-5-[(6-ethoxy-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate
CID 142769615
tert-butyl N-[(1S,2R)-2-[[6-carbamoyl-5-[(6-pyrazol-1-yl-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate
CID 86689788
tert-butyl N-[(1S,2S)-2-[(3-bromo-5-methyl-2-pyridinyl)amino]cyclopentyl]carbamate
CID 118317030
tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate
CID 96555526
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;2-chloro-6-[[(1R,2S)-2-methylcyclohexyl]amino]pyridine-3-carbonitrile;2,6-dichloropyridine-3-carbonitrile;6-[[(1R,2S)-2-methylcyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carbonitrile;3-(triazol-2-yl)aniline
CID 159383899

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2R)-2-[[5-cyano-6-(1H-indol-7-ylamino)pyrazin-2-yl]amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2R)-2-[[5-cyano-6-(1H-indol-7-ylamino)pyrazin-2-yl]amino]cyclohexyl]carbamate (CID 118131651) is tert-butyl N-[(1S,2R)-2-[[5-cyano-6-(1H-indol-7-ylamino)pyrazin-2-yl]amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2R)-2-[[5-cyano-6-(1H-indol-7-ylamino)pyrazin-2-yl]amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2R)-2-[[5-cyano-6-(1H-indol-7-ylamino)pyrazin-2-yl]amino]cyclohexyl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1Nc1cnc(C#N)c(Nc2cccc3cc[nH]c23)n1.
What is the InChIKey of tert-butyl N-[(1S,2R)-2-[[5-cyano-6-(1H-indol-7-ylamino)pyrazin-2-yl]amino]cyclohexyl]carbamate?
The InChIKey is YBJACOXWUFBPPS-SJORKVTESA-N. The full InChI is InChI=1S/C24H29N7O2/c1-24(2,3)33-23(32)30-17-9-5-4-8-16(17)28-20-14-27-19(13-25)22(31-20)29-18-10-6-7-15-11-12-26-21(15)18/h6-7,10-12,14,16-17,26H,4-5,8-9H2,1-3H3,(H,30,32)(H2,28,29,31)/t16-,17+/m1/s1.
What are the key properties of tert-butyl N-[(1S,2R)-2-[[5-cyano-6-(1H-indol-7-ylamino)pyrazin-2-yl]amino]cyclohexyl]carbamate?
tert-butyl N-[(1S,2R)-2-[[5-cyano-6-(1H-indol-7-ylamino)pyrazin-2-yl]amino]cyclohexyl]carbamate has a molecular weight of 447.54 g/mol, XLogP of 4.82, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2R)-2-[[5-cyano-6-(1H-indol-7-ylamino)pyrazin-2-yl]amino]cyclohexyl]carbamate is sourced from PubChem (CID 118131651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).