(4-(6-Chloro-7-(4-((5-methylisoxazol-3-yl)methyl)piperazin-1-yl)-3Himidazo[4,5-b]pyridin-2-yl)phenyl)methanamine

C22H24ClN7O — CID 25151778

IUPAC[4-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methanamine
SMILESCC1=CC(=NO1)CN2CCN(CC2)C3=C4C(=NC=C3Cl)N=C(N4)C5=CC=C(C=C5)CN
InChIInChI=1S/C22H24ClN7O/c1-14-10-17(28-31-14)13-29-6-8-30(9-7-29)20-18(23)12-25-22-19(20)26-21(27-22)16-4-2-15(11-24)3-5-16/h2-5,10,12H,6-9,11,13,24H2,1H3,(H,25,26,27)
InChIKeyBLVOITZPKDXRCK-UHFFFAOYSA-N
MW437.90 g/mol
LogP2.20
Rot. Bonds5

About (4-(6-Chloro-7-(4-((5-methylisoxazol-3-yl)methyl)piperazin-1-yl)-3Himidazo[4,5-b]pyridin-2-yl)phenyl)methanamine

(4-(6-Chloro-7-(4-((5-methylisoxazol-3-yl)methyl)piperazin-1-yl)-3Himidazo[4,5-b]pyridin-2-yl)phenyl)methanamine (PubChem CID 25151778) has the molecular formula C22H24ClN7O and a molecular weight of 437.90 g/mol. Its IUPAC name is [4-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name(4-(6-Chloro-7-(4-((5-methylisoxazol-3-yl)methyl)piperazin-1-yl)-3Himidazo[4,5-b]pyridin-2-yl)phenyl)methanamine
PubChem CID25151778
Molecular FormulaC22H24ClN7O
Molecular Weight437.90 g/mol
Exact Mass437.17
IUPAC Name[4-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methanamine
SMILESCC1=CC(=NO1)CN2CCN(CC2)C3=C4C(=NC=C3Cl)N=C(N4)C5=CC=C(C=C5)CN
InChIInChI=1S/C22H24ClN7O/c1-14-10-17(28-31-14)13-29-6-8-30(9-7-29)20-18(23)12-25-22-19(20)26-21(27-22)16-4-2-15(11-24)3-5-16/h2-5,10,12H,6-9,11,13,24H2,1H3,(H,25,26,27)
InChIKeyBLVOITZPKDXRCK-UHFFFAOYSA-N
XLogP2.20
TPSA100.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity584

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.90
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4-(6-Chloro-7-(4-((5-methylisoxazol-3-yl)methyl)piperazin-1-yl)-3Himidazo[4,5-b]pyridin-2-yl)phenyl)methanamine 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
3-(3H-imidazo[4,5-c]quinolin-2-yl)-5-methyl-1,2-oxazole
CID 135417206
5-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole
CID 135457984
3-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
CID 135513671
3-[[4-[6-bromo-2-(4-piperazin-1-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 25153624
(4-(6-Bromo-7-(4-((5-methylisoxazol-3-yl)methyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridin-2-yl)phenyl)methanamine
CID 25153836
1-[4-[6-bromo-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine
CID 25153837
6-Bromo-7-[4-(5-methyl-isoxazol-3-ylmethyl)-piperazin-1-yl]-2-(4-morpholin-4-ylmethyl-phenyl)-3H-imidazo[4,5-b]pyridine
CID 46867128
3-((4-(2-(4-((1H-pyrazol-1-yl)methyl)phenyl)-6-bromo-3H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl)methyl)-5-methylisoxazole
CID 46868087
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

Frequently Asked Questions

What is the IUPAC name of (4-(6-Chloro-7-(4-((5-methylisoxazol-3-yl)methyl)piperazin-1-yl)-3Himidazo[4,5-b]pyridin-2-yl)phenyl)methanamine?
The IUPAC name of (4-(6-Chloro-7-(4-((5-methylisoxazol-3-yl)methyl)piperazin-1-yl)-3Himidazo[4,5-b]pyridin-2-yl)phenyl)methanamine (CID 25151778) is [4-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methanamine.
What is the SMILES notation for (4-(6-Chloro-7-(4-((5-methylisoxazol-3-yl)methyl)piperazin-1-yl)-3Himidazo[4,5-b]pyridin-2-yl)phenyl)methanamine?
The canonical SMILES for (4-(6-Chloro-7-(4-((5-methylisoxazol-3-yl)methyl)piperazin-1-yl)-3Himidazo[4,5-b]pyridin-2-yl)phenyl)methanamine is CC1=CC(=NO1)CN2CCN(CC2)C3=C4C(=NC=C3Cl)N=C(N4)C5=CC=C(C=C5)CN.
What is the InChIKey of (4-(6-Chloro-7-(4-((5-methylisoxazol-3-yl)methyl)piperazin-1-yl)-3Himidazo[4,5-b]pyridin-2-yl)phenyl)methanamine?
The InChIKey is BLVOITZPKDXRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN7O/c1-14-10-17(28-31-14)13-29-6-8-30(9-7-29)20-18(23)12-25-22-19(20)26-21(27-22)16-4-2-15(11-24)3-5-16/h2-5,10,12H,6-9,11,13,24H2,1H3,(H,25,26,27).
What are the key properties of (4-(6-Chloro-7-(4-((5-methylisoxazol-3-yl)methyl)piperazin-1-yl)-3Himidazo[4,5-b]pyridin-2-yl)phenyl)methanamine?
(4-(6-Chloro-7-(4-((5-methylisoxazol-3-yl)methyl)piperazin-1-yl)-3Himidazo[4,5-b]pyridin-2-yl)phenyl)methanamine has a molecular weight of 437.90 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-(6-Chloro-7-(4-((5-methylisoxazol-3-yl)methyl)piperazin-1-yl)-3Himidazo[4,5-b]pyridin-2-yl)phenyl)methanamine is sourced from PubChem (CID 25151778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).