3-chloro-4-(4,7-diazaspiro[2.5]octan-7-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine

C20H23ClN6 — CID 176561428

IUPAC3-chloro-4-(4,7-diazaspiro[2.5]octan-7-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
SMILESClC1=C(N2CCNC3(CC3)C2)C(NCc2ccc3nccnc3c2)=CNC1
InChIInChI=1S/C20H23ClN6/c21-15-11-22-12-18(19(15)27-8-7-26-20(13-27)3-4-20)25-10-14-1-2-16-17(9-14)24-6-5-23-16/h1-2,5-6,9,12,22,25-26H,3-4,7-8,10-11,13H2
InChIKeySVAHTBBNVOVBFK-UHFFFAOYSA-N
MW382.90 g/mol
LogP2.05
Rot. Bonds4

About 3-chloro-4-(4,7-diazaspiro[2.5]octan-7-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine

3-chloro-4-(4,7-diazaspiro[2.5]octan-7-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine (PubChem CID 176561428) has the molecular formula C20H23ClN6 and a molecular weight of 382.90 g/mol. Its IUPAC name is 3-chloro-4-(4,7-diazaspiro[2.5]octan-7-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine.

Molecular Properties

Compound Name3-chloro-4-(4,7-diazaspiro[2.5]octan-7-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
PubChem CID176561428
Molecular FormulaC20H23ClN6
Molecular Weight382.90 g/mol
Exact Mass382.17
IUPAC Name3-chloro-4-(4,7-diazaspiro[2.5]octan-7-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
SMILESClC1=C(N2CCNC3(CC3)C2)C(NCc2ccc3nccnc3c2)=CNC1
InChIInChI=1S/C20H23ClN6/c21-15-11-22-12-18(19(15)27-8-7-26-20(13-27)3-4-20)25-10-14-1-2-16-17(9-14)24-6-5-23-16/h1-2,5-6,9,12,22,25-26H,3-4,7-8,10-11,13H2
InChIKeySVAHTBBNVOVBFK-UHFFFAOYSA-N
XLogP2.05
TPSA65.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-methoxy-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 168937063
3-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 176561484
ethane;4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 168936937
4-(azetidin-3-yloxy)-3-chloro-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 176691496
3-fluoro-5-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridine-4,5-diamine
CID 176561576
N-[(8-chloroquinoxalin-6-yl)methyl]-3-methyl-4-piperazin-1-yl-1,2-dihydropyridin-5-amine
CID 168937373
propane;5-(quinoxalin-6-ylmethylamino)-3-(trifluoromethyl)-1,2-dihydropyridin-4-ol
CID 168936928
2-methyl-3-[(Z)-3-methylbut-1-enyl]-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 168937199
2-phosphanyl-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 168937037
4-(1,4-diazepan-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-2-amine
CID 177366069
4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 168936819
6-fluoro-4-methyl-7-pyrrolidin-1-yl-N-(quinoxalin-6-ylmethyl)cyclohepta-1,3,6-trien-1-amine
CID 176561499

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4,7-diazaspiro[2.5]octan-7-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine?
The IUPAC name of 3-chloro-4-(4,7-diazaspiro[2.5]octan-7-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine (CID 176561428) is 3-chloro-4-(4,7-diazaspiro[2.5]octan-7-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine.
What is the SMILES notation for 3-chloro-4-(4,7-diazaspiro[2.5]octan-7-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine?
The canonical SMILES for 3-chloro-4-(4,7-diazaspiro[2.5]octan-7-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine is ClC1=C(N2CCNC3(CC3)C2)C(NCc2ccc3nccnc3c2)=CNC1.
What is the InChIKey of 3-chloro-4-(4,7-diazaspiro[2.5]octan-7-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine?
The InChIKey is SVAHTBBNVOVBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6/c21-15-11-22-12-18(19(15)27-8-7-26-20(13-27)3-4-20)25-10-14-1-2-16-17(9-14)24-6-5-23-16/h1-2,5-6,9,12,22,25-26H,3-4,7-8,10-11,13H2.
What are the key properties of 3-chloro-4-(4,7-diazaspiro[2.5]octan-7-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine?
3-chloro-4-(4,7-diazaspiro[2.5]octan-7-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine has a molecular weight of 382.90 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4,7-diazaspiro[2.5]octan-7-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine is sourced from PubChem (CID 176561428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).