N-(1H-indazol-5-yl)-2-[3-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-amine

C26H25N7 — CID 67135306

IUPACN-(1H-indazol-5-yl)-2-[3-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-amine
SMILESCN1CCN(c2cccc(-c3nc(Nc4ccc5[nH]ncc5c4)c4ccccc4n3)c2)CC1
InChIInChI=1S/C26H25N7/c1-32-11-13-33(14-12-32)21-6-4-5-18(16-21)25-29-24-8-3-2-7-22(24)26(30-25)28-20-9-10-23-19(15-20)17-27-31-23/h2-10,15-17H,11-14H2,1H3,(H,27,31)(H,28,29,30)
InChIKeyUHBQRXBZQZGIPQ-UHFFFAOYSA-N
MW435.54 g/mol
LogP4.67
Rot. Bonds4

About N-(1H-indazol-5-yl)-2-[3-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-amine

N-(1H-indazol-5-yl)-2-[3-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-amine (PubChem CID 67135306) has the molecular formula C26H25N7 and a molecular weight of 435.54 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-2-[3-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-2-[3-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-amine
PubChem CID67135306
Molecular FormulaC26H25N7
Molecular Weight435.54 g/mol
Exact Mass435.22
IUPAC NameN-(1H-indazol-5-yl)-2-[3-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-amine
SMILESCN1CCN(c2cccc(-c3nc(Nc4ccc5[nH]ncc5c4)c4ccccc4n3)c2)CC1
InChIInChI=1S/C26H25N7/c1-32-11-13-33(14-12-32)21-6-4-5-18(16-21)25-29-24-8-3-2-7-22(24)26(30-25)28-20-9-10-23-19(15-20)17-27-31-23/h2-10,15-17H,11-14H2,1H3,(H,27,31)(H,28,29,30)
InChIKeyUHBQRXBZQZGIPQ-UHFFFAOYSA-N
XLogP4.67
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(3-bromophenyl)-1H-pyrazolo[3,4-g]quinazolin-8-amine
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4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
CID 9998128
Bms-986299
CID 137498152
Pyrazolo[3,4-d]pyrimidine 16
CID 6539967
N-(1H-indazol-5-yl)-N'-[2-(1H-indol-3-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine
CID 10111591
GW779439X
CID 10173796
Sdccggsk-0000286.P001
CID 22727427
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CID 44279279

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-2-[3-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-amine?
The IUPAC name of N-(1H-indazol-5-yl)-2-[3-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-amine (CID 67135306) is N-(1H-indazol-5-yl)-2-[3-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-amine.
What is the SMILES notation for N-(1H-indazol-5-yl)-2-[3-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-amine?
The canonical SMILES for N-(1H-indazol-5-yl)-2-[3-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-amine is CN1CCN(c2cccc(-c3nc(Nc4ccc5[nH]ncc5c4)c4ccccc4n3)c2)CC1.
What is the InChIKey of N-(1H-indazol-5-yl)-2-[3-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-amine?
The InChIKey is UHBQRXBZQZGIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7/c1-32-11-13-33(14-12-32)21-6-4-5-18(16-21)25-29-24-8-3-2-7-22(24)26(30-25)28-20-9-10-23-19(15-20)17-27-31-23/h2-10,15-17H,11-14H2,1H3,(H,27,31)(H,28,29,30).
What are the key properties of N-(1H-indazol-5-yl)-2-[3-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-amine?
N-(1H-indazol-5-yl)-2-[3-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-amine has a molecular weight of 435.54 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-2-[3-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 67135306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).