7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;N-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-propan-2-ylpurin-6-amine — IUPAC name, SMILES, InChIKey & properties

Name: 7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;N-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-propan-2-ylpurin-6-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;N-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-propan-2-ylpurin-6-amine

7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;N-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-propan-2-ylpurin-6-amine (PubChem CID 157305605) has the molecular formula C73H100ClN33O2S and a molecular weight of 1539.35 g/mol. Its IUPAC name is 7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;N-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-propan-2-ylpurin-6-amine.

Molecular Properties

Compound Name	7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;N-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-propan-2-ylpurin-6-amine
PubChem CID	157305605
Molecular Formula	C73H100ClN33O2S
Molecular Weight	1539.35 g/mol
Exact Mass	1537.81
IUPAC Name	7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;N-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-propan-2-ylpurin-6-amine
SMILES	C.CC(C)n1cnc2c(Cl)ccnc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c(N)ncnc21.CNc1ncnc2c1ncn2C(C)C.COc1nc(N)nc2c1ncn2C(C)C.CSc1ccnc2c1ncn2C(C)C.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1ncc2ncn(C(C)C)c2n1
InChI	InChI=1S/C10H13N3S.C9H10ClN3.C9H13N5O.C9H13N5.C9H12N4O.2C9H12N4.C8H11N5.CH4/c1-7(2)13-6-12-9-8(14-3)4-5-11-10(9)13;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-5(2)14-4-11-6-7(14)12-9(10)13-8(6)15-3;1-6(2)14-5-13-7-8(10-3)11-4-12-9(7)14;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-6(2)13-5-11-8-4-10-7(3)12-9(8)13;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;/h4-7H,1-3H3;3-6H,1-2H3;4-5H,1-3H3,(H2,10,12,13);4-6H,1-3H3,(H,10,11,12);4-5H,1-3H3,(H,11,12,14);4-6H,1-3H3;3-6H,1-2H3,(H2,10,11);3-5H,1-2H3,(H2,9,10,11);1H4
InChIKey	BCKSSPDFLUBHEZ-UHFFFAOYSA-N
XLogP	13.79
TPSA	429.42 Å²
H-Bond Donors	5
H-Bond Acceptors	35
Rotatable Bonds	11
Heavy Atoms	110
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1539.35
LogP ≤ 5	13.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Analyze 7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;N-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-propan-2-ylpurin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;N-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-propan-2-ylpurin-6-amine?

The IUPAC name of 7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;N-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-propan-2-ylpurin-6-amine (CID 157305605) is 7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;N-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-propan-2-ylpurin-6-amine.

What is the SMILES notation for 7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;N-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-propan-2-ylpurin-6-amine?

The canonical SMILES for 7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;N-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-propan-2-ylpurin-6-amine is C.CC(C)n1cnc2c(Cl)ccnc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c(N)ncnc21.CNc1ncnc2c1ncn2C(C)C.COc1nc(N)nc2c1ncn2C(C)C.CSc1ccnc2c1ncn2C(C)C.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1ncc2ncn(C(C)C)c2n1.

What is the InChIKey of 7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;N-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-propan-2-ylpurin-6-amine?

The InChIKey is BCKSSPDFLUBHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S.C9H10ClN3.C9H13N5O.C9H13N5.C9H12N4O.2C9H12N4.C8H11N5.CH4/c1-7(2)13-6-12-9-8(14-3)4-5-11-10(9)13;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-5(2)14-4-11-6-7(14)12-9(10)13-8(6)15-3;1-6(2)14-5-13-7-8(10-3)11-4-12-9(7)14;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-6(2)13-5-11-8-4-10-7(3)12-9(8)13;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;/h4-7H,1-3H3;3-6H,1-2H3;4-5H,1-3H3,(H2,10,12,13);4-6H,1-3H3,(H,10,11,12);4-5H,1-3H3,(H,11,12,14);4-6H,1-3H3;3-6H,1-2H3,(H2,10,11);3-5H,1-2H3,(H2,9,10,11);1H4.

What are the key properties of 7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;N-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-propan-2-ylpurin-6-amine?

Where does this data come from?

All data for 7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;N-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-propan-2-ylpurin-6-amine is sourced from PubChem (CID 157305605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).