4-N-[6-(4-chloro-1H-indol-2-yl)-5-nitrosopyrazin-2-yl]oxane-3,4-diamine

C17H17ClN6O2 — CID 138548655

IUPAC4-N-[6-(4-chloro-1H-indol-2-yl)-5-nitrosopyrazin-2-yl]oxane-3,4-diamine
SMILESNC1COCCC1Nc1cnc(N=O)c(-c2cc3c(Cl)cccc3[nH]2)n1
InChIInChI=1S/C17H17ClN6O2/c18-10-2-1-3-12-9(10)6-14(21-12)16-17(24-25)20-7-15(23-16)22-13-4-5-26-8-11(13)19/h1-3,6-7,11,13,21H,4-5,8,19H2,(H,22,23)
InChIKeyCKEJULFNGIAQSM-UHFFFAOYSA-N
MW372.82 g/mol
LogP3.20
Rot. Bonds4

About 4-N-[6-(4-chloro-1H-indol-2-yl)-5-nitrosopyrazin-2-yl]oxane-3,4-diamine

4-N-[6-(4-chloro-1H-indol-2-yl)-5-nitrosopyrazin-2-yl]oxane-3,4-diamine (PubChem CID 138548655) has the molecular formula C17H17ClN6O2 and a molecular weight of 372.82 g/mol. Its IUPAC name is 4-N-[6-(4-chloro-1H-indol-2-yl)-5-nitrosopyrazin-2-yl]oxane-3,4-diamine.

Molecular Properties

Compound Name4-N-[6-(4-chloro-1H-indol-2-yl)-5-nitrosopyrazin-2-yl]oxane-3,4-diamine
PubChem CID138548655
Molecular FormulaC17H17ClN6O2
Molecular Weight372.82 g/mol
Exact Mass372.11
IUPAC Name4-N-[6-(4-chloro-1H-indol-2-yl)-5-nitrosopyrazin-2-yl]oxane-3,4-diamine
SMILESNC1COCCC1Nc1cnc(N=O)c(-c2cc3c(Cl)cccc3[nH]2)n1
InChIInChI=1S/C17H17ClN6O2/c18-10-2-1-3-12-9(10)6-14(21-12)16-17(24-25)20-7-15(23-16)22-13-4-5-26-8-11(13)19/h1-3,6-7,11,13,21H,4-5,8,19H2,(H,22,23)
InChIKeyCKEJULFNGIAQSM-UHFFFAOYSA-N
XLogP3.20
TPSA118.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-[6-(4-chloro-1H-indol-2-yl)-5-nitrosopyrazin-2-yl]oxane-3,4-diamine with MolForge

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Related Compounds

5-[(3-aminooxan-4-yl)amino]-3-(4-methoxy-1H-indol-2-yl)pyrazine-2-carboxamide
CID 123886050
5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-(5-methoxy-1H-indol-2-yl)pyrazine-2-carboxamide
CID 118368155
5-[(2-aminocyclohexyl)amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide
CID 123772470
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide
CID 102532139
N-cyclohexyl-5-methyl-6-(4-methyl-1H-indol-2-yl)pyrazin-2-amine
CID 144921273
5-[[(3S,4S)-4-amino-1,1-dioxothian-3-yl]amino]-3-(3-chloro-1H-indol-2-yl)pyrazine-2-carboxamide
CID 118372953
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 71626818
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-chloro-1H-indole-2-carboxamide
CID 156584209
4-chloro-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-indole-2-carboxamide
CID 156585222
cis-(1R,2S)-2-N-[3-(3-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]cyclohexane-1,2-diamine
CID 138513830
(3S,4R)-4-[[5-chloro-4-[2-(1,1-dioxothian-4-yl)-4-pyridinyl]-2-pyridinyl]amino]oxan-3-ol
CID 171660780
2-[[[(3S,4S)-3-aminooxan-4-yl]amino]methyl]-6-(4-fluorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 167794034

Frequently Asked Questions

What is the IUPAC name of 4-N-[6-(4-chloro-1H-indol-2-yl)-5-nitrosopyrazin-2-yl]oxane-3,4-diamine?
The IUPAC name of 4-N-[6-(4-chloro-1H-indol-2-yl)-5-nitrosopyrazin-2-yl]oxane-3,4-diamine (CID 138548655) is 4-N-[6-(4-chloro-1H-indol-2-yl)-5-nitrosopyrazin-2-yl]oxane-3,4-diamine.
What is the SMILES notation for 4-N-[6-(4-chloro-1H-indol-2-yl)-5-nitrosopyrazin-2-yl]oxane-3,4-diamine?
The canonical SMILES for 4-N-[6-(4-chloro-1H-indol-2-yl)-5-nitrosopyrazin-2-yl]oxane-3,4-diamine is NC1COCCC1Nc1cnc(N=O)c(-c2cc3c(Cl)cccc3[nH]2)n1.
What is the InChIKey of 4-N-[6-(4-chloro-1H-indol-2-yl)-5-nitrosopyrazin-2-yl]oxane-3,4-diamine?
The InChIKey is CKEJULFNGIAQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O2/c18-10-2-1-3-12-9(10)6-14(21-12)16-17(24-25)20-7-15(23-16)22-13-4-5-26-8-11(13)19/h1-3,6-7,11,13,21H,4-5,8,19H2,(H,22,23).
What are the key properties of 4-N-[6-(4-chloro-1H-indol-2-yl)-5-nitrosopyrazin-2-yl]oxane-3,4-diamine?
4-N-[6-(4-chloro-1H-indol-2-yl)-5-nitrosopyrazin-2-yl]oxane-3,4-diamine has a molecular weight of 372.82 g/mol, XLogP of 3.20, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[6-(4-chloro-1H-indol-2-yl)-5-nitrosopyrazin-2-yl]oxane-3,4-diamine is sourced from PubChem (CID 138548655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).