3-methyl-2-(4-methylpiperazin-1-yl)-N-[1-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]ethenyl]pyridin-4-amine

C25H28N8 — CID 145245014

IUPAC3-methyl-2-(4-methylpiperazin-1-yl)-N-[1-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]ethenyl]pyridin-4-amine
SMILESC=C(Nc1ccnc(N2CCN(C)CC2)c1C)c1n[nH]c2ccc(-c3cncc(C)c3)nc12
InChIInChI=1S/C25H28N8/c1-16-13-19(15-26-14-16)21-5-6-22-24(29-21)23(31-30-22)18(3)28-20-7-8-27-25(17(20)2)33-11-9-32(4)10-12-33/h5-8,13-15H,3,9-12H2,1-2,4H3,(H,27,28)(H,30,31)
InChIKeyTVVBCPNNJLRTMW-UHFFFAOYSA-N
MW440.56 g/mol
LogP3.87
Rot. Bonds5

About 3-methyl-2-(4-methylpiperazin-1-yl)-N-[1-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]ethenyl]pyridin-4-amine

3-methyl-2-(4-methylpiperazin-1-yl)-N-[1-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]ethenyl]pyridin-4-amine (PubChem CID 145245014) has the molecular formula C25H28N8 and a molecular weight of 440.56 g/mol. Its IUPAC name is 3-methyl-2-(4-methylpiperazin-1-yl)-N-[1-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]ethenyl]pyridin-4-amine.

Molecular Properties

Compound Name3-methyl-2-(4-methylpiperazin-1-yl)-N-[1-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]ethenyl]pyridin-4-amine
PubChem CID145245014
Molecular FormulaC25H28N8
Molecular Weight440.56 g/mol
Exact Mass440.24
IUPAC Name3-methyl-2-(4-methylpiperazin-1-yl)-N-[1-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]ethenyl]pyridin-4-amine
SMILESC=C(Nc1ccnc(N2CCN(C)CC2)c1C)c1n[nH]c2ccc(-c3cncc(C)c3)nc12
InChIInChI=1S/C25H28N8/c1-16-13-19(15-26-14-16)21-5-6-22-24(29-21)23(31-30-22)18(3)28-20-7-8-27-25(17(20)2)33-11-9-32(4)10-12-33/h5-8,13-15H,3,9-12H2,1-2,4H3,(H,27,28)(H,30,31)
InChIKeyTVVBCPNNJLRTMW-UHFFFAOYSA-N
XLogP3.87
TPSA85.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.56
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,4-dimethylpent-1-en-2-yl)-5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137102983
N-(1-cyclopentylethenyl)-5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137088566
N-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137039475
3,3-dimethyl-N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137039610
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137039011
N-(4,4-dimethylpent-1-en-2-yl)-5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 145253039
N-(3-methylbut-1-en-2-yl)-5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 137088052
4-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-[1-(5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)ethenyl]pyridin-2-amine
CID 145253538
5-[6-fluoro-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine
CID 145034226
N,N-dimethyl-2-[3-methyl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenoxy]ethanamine
CID 137088266
1-[6-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137039745
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137039073

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylpiperazin-1-yl)-N-[1-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]ethenyl]pyridin-4-amine?
The IUPAC name of 3-methyl-2-(4-methylpiperazin-1-yl)-N-[1-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]ethenyl]pyridin-4-amine (CID 145245014) is 3-methyl-2-(4-methylpiperazin-1-yl)-N-[1-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]ethenyl]pyridin-4-amine.
What is the SMILES notation for 3-methyl-2-(4-methylpiperazin-1-yl)-N-[1-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]ethenyl]pyridin-4-amine?
The canonical SMILES for 3-methyl-2-(4-methylpiperazin-1-yl)-N-[1-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]ethenyl]pyridin-4-amine is C=C(Nc1ccnc(N2CCN(C)CC2)c1C)c1n[nH]c2ccc(-c3cncc(C)c3)nc12.
What is the InChIKey of 3-methyl-2-(4-methylpiperazin-1-yl)-N-[1-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]ethenyl]pyridin-4-amine?
The InChIKey is TVVBCPNNJLRTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8/c1-16-13-19(15-26-14-16)21-5-6-22-24(29-21)23(31-30-22)18(3)28-20-7-8-27-25(17(20)2)33-11-9-32(4)10-12-33/h5-8,13-15H,3,9-12H2,1-2,4H3,(H,27,28)(H,30,31).
What are the key properties of 3-methyl-2-(4-methylpiperazin-1-yl)-N-[1-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]ethenyl]pyridin-4-amine?
3-methyl-2-(4-methylpiperazin-1-yl)-N-[1-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]ethenyl]pyridin-4-amine has a molecular weight of 440.56 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylpiperazin-1-yl)-N-[1-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]ethenyl]pyridin-4-amine is sourced from PubChem (CID 145245014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).