3-[[4-[6-chloro-2-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole

C20H27ClN8O — CID 46889933

IUPAC3-[[4-[6-chloro-2-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(c3c(Cl)cnc4nc(N5CCN(C)CC5)[nH]c34)CC2)no1
InChIInChI=1S/C20H27ClN8O/c1-14-11-15(25-30-14)13-27-5-9-28(10-6-27)18-16(21)12-22-19-17(18)23-20(24-19)29-7-3-26(2)4-8-29/h11-12H,3-10,13H2,1-2H3,(H,22,23,24)
InChIKeyUUGWPYPNRZQDFO-UHFFFAOYSA-N
MW430.94 g/mol
LogP1.98
Rot. Bonds4

About 3-[[4-[6-chloro-2-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole

3-[[4-[6-chloro-2-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 46889933) has the molecular formula C20H27ClN8O and a molecular weight of 430.94 g/mol. Its IUPAC name is 3-[[4-[6-chloro-2-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-[6-chloro-2-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID46889933
Molecular FormulaC20H27ClN8O
Molecular Weight430.94 g/mol
Exact Mass430.20
IUPAC Name3-[[4-[6-chloro-2-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(c3c(Cl)cnc4nc(N5CCN(C)CC5)[nH]c34)CC2)no1
InChIInChI=1S/C20H27ClN8O/c1-14-11-15(25-30-14)13-27-5-9-28(10-6-27)18-16(21)12-22-19-17(18)23-20(24-19)29-7-3-26(2)4-8-29/h11-12H,3-10,13H2,1-2H3,(H,22,23,24)
InChIKeyUUGWPYPNRZQDFO-UHFFFAOYSA-N
XLogP1.98
TPSA80.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[4-[6-chloro-2-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole with MolForge

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Related Compounds

3-((4-(6-bromo-2-(4-(4-methylpiperazin-1-yl)phenyl)-3H-imidazo(4,5-b)pyridin-7-yl)piperazin-1-yl)methyl)-5-methylisoxazole
CID 25154041
6-Bromo-2-(1-Methyl-1h-Imidazol-5-Yl)-7-{4-[(5-Methyl-1,2-Oxazol-3-Yl)methyl]piperazin-1-Yl}-1h-Imidazo[4,5-B]pyridine
CID 70789751
(4-(6-Chloro-7-(4-((5-methylisoxazol-3-yl)methyl)piperazin-1-yl)-3Himidazo[4,5-b]pyridin-2-yl)phenyl)methanamine
CID 25151778
3-[[4-[6-chloro-2-[3-(4-methylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 71455744
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 117887098
5-[(3-fluoro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334971
4-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334975
4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334976
5-[(5-fluoro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334979
5-[(3-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334982
5-[(4-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334995
4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118335018

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[6-chloro-2-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[4-[6-chloro-2-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 46889933) is 3-[[4-[6-chloro-2-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[4-[6-chloro-2-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[4-[6-chloro-2-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is Cc1cc(CN2CCN(c3c(Cl)cnc4nc(N5CCN(C)CC5)[nH]c34)CC2)no1.
What is the InChIKey of 3-[[4-[6-chloro-2-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is UUGWPYPNRZQDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN8O/c1-14-11-15(25-30-14)13-27-5-9-28(10-6-27)18-16(21)12-22-19-17(18)23-20(24-19)29-7-3-26(2)4-8-29/h11-12H,3-10,13H2,1-2H3,(H,22,23,24).
What are the key properties of 3-[[4-[6-chloro-2-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
3-[[4-[6-chloro-2-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 430.94 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[6-chloro-2-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 46889933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).