8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine

C27H23N7 — CID 134497961

IUPAC8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine
SMILESCn1cc([C@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)cn1
InChIInChI=1S/C27H23N7/c1-33-11-7-18-5-6-19(12-25(18)33)23-13-22(14-24-27(23)30-10-9-29-24)32-26(20-4-3-8-28-15-20)21-16-31-34(2)17-21/h3-17,26,32H,1-2H3/t26-/m1/s1
InChIKeyDUGCOOPFHNAQML-AREMUKBSSA-N
MW445.53 g/mol
LogP5.12
Rot. Bonds5

About 8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine

8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine (PubChem CID 134497961) has the molecular formula C27H23N7 and a molecular weight of 445.53 g/mol. Its IUPAC name is 8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine.

Molecular Properties

Compound Name8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine
PubChem CID134497961
Molecular FormulaC27H23N7
Molecular Weight445.53 g/mol
Exact Mass445.20
IUPAC Name8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine
SMILESCn1cc([C@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)cn1
InChIInChI=1S/C27H23N7/c1-33-11-7-18-5-6-19(12-25(18)33)23-13-22(14-24-27(23)30-10-9-29-24)32-26(20-4-3-8-28-15-20)21-16-31-34(2)17-21/h3-17,26,32H,1-2H3/t26-/m1/s1
InChIKeyDUGCOOPFHNAQML-AREMUKBSSA-N
XLogP5.12
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.53
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine?
The IUPAC name of 8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine (CID 134497961) is 8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine.
What is the SMILES notation for 8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine?
The canonical SMILES for 8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine is Cn1cc([C@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)cn1.
What is the InChIKey of 8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine?
The InChIKey is DUGCOOPFHNAQML-AREMUKBSSA-N. The full InChI is InChI=1S/C27H23N7/c1-33-11-7-18-5-6-19(12-25(18)33)23-13-22(14-24-27(23)30-10-9-29-24)32-26(20-4-3-8-28-15-20)21-16-31-34(2)17-21/h3-17,26,32H,1-2H3/t26-/m1/s1.
What are the key properties of 8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine?
8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine has a molecular weight of 445.53 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylindol-6-yl)-N-[(R)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine is sourced from PubChem (CID 134497961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).