5-(8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)pyrido[4,3-d]pyrimidine

C22H22Cl2N4 — CID 170128235

IUPAC5-(8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)pyrido[4,3-d]pyrimidine
SMILESClc1cccc(-c2cnc(N3CCC4(CCCC4)CC3)c3cncnc23)c1Cl
InChIInChI=1S/C22H22Cl2N4/c23-18-5-3-4-15(19(18)24)16-13-26-21(17-12-25-14-27-20(16)17)28-10-8-22(9-11-28)6-1-2-7-22/h3-5,12-14H,1-2,6-11H2
InChIKeyBRVCQYZKSJELBS-UHFFFAOYSA-N
MW413.35 g/mol
LogP6.16
Rot. Bonds2

About 5-(8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)pyrido[4,3-d]pyrimidine

5-(8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)pyrido[4,3-d]pyrimidine (PubChem CID 170128235) has the molecular formula C22H22Cl2N4 and a molecular weight of 413.35 g/mol. Its IUPAC name is 5-(8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name5-(8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)pyrido[4,3-d]pyrimidine
PubChem CID170128235
Molecular FormulaC22H22Cl2N4
Molecular Weight413.35 g/mol
Exact Mass412.12
IUPAC Name5-(8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)pyrido[4,3-d]pyrimidine
SMILESClc1cccc(-c2cnc(N3CCC4(CCCC4)CC3)c3cncnc23)c1Cl
InChIInChI=1S/C22H22Cl2N4/c23-18-5-3-4-15(19(18)24)16-13-26-21(17-12-25-14-27-20(16)17)28-10-8-22(9-11-28)6-1-2-7-22/h3-5,12-14H,1-2,6-11H2
InChIKeyBRVCQYZKSJELBS-UHFFFAOYSA-N
XLogP6.16
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.35
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(8-azaspiro[4.5]decan-8-yl)-2-(2,3-dichlorophenyl)pyridin-3-ol
CID 135255029
6-(8-azaspiro[4.5]decan-8-yl)-3-(2,3-dichlorophenyl)-5-ethylpyrazin-2-amine
CID 134183200
S-tert-butylthiohydroxylamine;8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-2-oxa-8-azaspiro[4.5]decane
CID 142403927
4-chloro-8-(2,3-dichlorophenyl)-1,6-naphthyridine-3-carboxylic acid
CID 175541558
tert-butyl N-[1-[7-(2,3-dichlorophenyl)-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-4-methylpiperidin-4-yl]carbamate
CID 135257079
8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane
CID 138553209
6-(2-amino-3-chlorophenyl)sulfanyl-3-(8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one
CID 156711754
3-[3-chloro-5-(chloromethyl)-2-pyridinyl]-3-azaspiro[5.5]undecane
CID 63445999
1-[8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-ol
CID 155447864
2-(8-azaspiro[4.5]decan-8-yl)-6-chloroaniline
CID 104834515
5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile
CID 175882707
1-(5-chloropyrimidin-4-yl)azepane;hydrochloride
CID 172880685

Frequently Asked Questions

What is the IUPAC name of 5-(8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)pyrido[4,3-d]pyrimidine?
The IUPAC name of 5-(8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)pyrido[4,3-d]pyrimidine (CID 170128235) is 5-(8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 5-(8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)pyrido[4,3-d]pyrimidine?
The canonical SMILES for 5-(8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)pyrido[4,3-d]pyrimidine is Clc1cccc(-c2cnc(N3CCC4(CCCC4)CC3)c3cncnc23)c1Cl.
What is the InChIKey of 5-(8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)pyrido[4,3-d]pyrimidine?
The InChIKey is BRVCQYZKSJELBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4/c23-18-5-3-4-15(19(18)24)16-13-26-21(17-12-25-14-27-20(16)17)28-10-8-22(9-11-28)6-1-2-7-22/h3-5,12-14H,1-2,6-11H2.
What are the key properties of 5-(8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)pyrido[4,3-d]pyrimidine?
5-(8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)pyrido[4,3-d]pyrimidine has a molecular weight of 413.35 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 170128235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).