2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1,4-dihydroquinazoline

C26H27N7 — CID 174201850

IUPAC2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1,4-dihydroquinazoline
SMILESCN1CCN(Cc2cncc(-c3ccc4[nH]nc(C5=NCc6ccccc6N5)c4c3)c2)CC1
InChIInChI=1S/C26H27N7/c1-32-8-10-33(11-9-32)17-18-12-21(15-27-14-18)19-6-7-24-22(13-19)25(31-30-24)26-28-16-20-4-2-3-5-23(20)29-26/h2-7,12-15H,8-11,16-17H2,1H3,(H,28,29)(H,30,31)
InChIKeyPAJXGFBKMIDKDS-UHFFFAOYSA-N
MW437.55 g/mol
LogP3.74
Rot. Bonds4

About 2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1,4-dihydroquinazoline

2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1,4-dihydroquinazoline (PubChem CID 174201850) has the molecular formula C26H27N7 and a molecular weight of 437.55 g/mol. Its IUPAC name is 2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1,4-dihydroquinazoline.

Molecular Properties

Compound Name2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1,4-dihydroquinazoline
PubChem CID174201850
Molecular FormulaC26H27N7
Molecular Weight437.55 g/mol
Exact Mass437.23
IUPAC Name2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1,4-dihydroquinazoline
SMILESCN1CCN(Cc2cncc(-c3ccc4[nH]nc(C5=NCc6ccccc6N5)c4c3)c2)CC1
InChIInChI=1S/C26H27N7/c1-32-8-10-33(11-9-32)17-18-12-21(15-27-14-18)19-6-7-24-22(13-19)25(31-30-24)26-28-16-20-4-2-3-5-23(20)29-26/h2-7,12-15H,8-11,16-17H2,1H3,(H,28,29)(H,30,31)
InChIKeyPAJXGFBKMIDKDS-UHFFFAOYSA-N
XLogP3.74
TPSA72.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1,4-dihydroquinazoline with MolForge

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Related Compounds

3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 136509557
5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
CID 89458778
N-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382350
2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
CID 137134066
5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381994
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118382158
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381235
3-(4-piperidin-1-yl-1H-indol-2-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137115804
N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381872
1-[[5-(3-chlorophenyl)-3-pyridinyl]methyl]-4-methylpiperazine
CID 42851810
3-[4-(4-fluorophenyl)-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137115531
3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137087962

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1,4-dihydroquinazoline?
The IUPAC name of 2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1,4-dihydroquinazoline (CID 174201850) is 2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1,4-dihydroquinazoline.
What is the SMILES notation for 2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1,4-dihydroquinazoline?
The canonical SMILES for 2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1,4-dihydroquinazoline is CN1CCN(Cc2cncc(-c3ccc4[nH]nc(C5=NCc6ccccc6N5)c4c3)c2)CC1.
What is the InChIKey of 2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1,4-dihydroquinazoline?
The InChIKey is PAJXGFBKMIDKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7/c1-32-8-10-33(11-9-32)17-18-12-21(15-27-14-18)19-6-7-24-22(13-19)25(31-30-24)26-28-16-20-4-2-3-5-23(20)29-26/h2-7,12-15H,8-11,16-17H2,1H3,(H,28,29)(H,30,31).
What are the key properties of 2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1,4-dihydroquinazoline?
2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1,4-dihydroquinazoline has a molecular weight of 437.55 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1,4-dihydroquinazoline is sourced from PubChem (CID 174201850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).