[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone

C23H23N7O — CID 37131059

IUPAC[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
SMILESNc1nc(CN2CCN(C(=O)c3cnn(-c4ccccc4)c3)CC2)nc2ccccc12
InChIInChI=1S/C23H23N7O/c24-22-19-8-4-5-9-20(19)26-21(27-22)16-28-10-12-29(13-11-28)23(31)17-14-25-30(15-17)18-6-2-1-3-7-18/h1-9,14-15H,10-13,16H2,(H2,24,26,27)
InChIKeyHCEBJUDFBYLJPH-UHFFFAOYSA-N
MW413.49 g/mol
LogP2.36
Rot. Bonds4

About [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone

[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone (PubChem CID 37131059) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
PubChem CID37131059
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
SMILESNc1nc(CN2CCN(C(=O)c3cnn(-c4ccccc4)c3)CC2)nc2ccccc12
InChIInChI=1S/C23H23N7O/c24-22-19-8-4-5-9-20(19)26-21(27-22)16-28-10-12-29(13-11-28)23(31)17-14-25-30(15-17)18-6-2-1-3-7-18/h1-9,14-15H,10-13,16H2,(H2,24,26,27)
InChIKeyHCEBJUDFBYLJPH-UHFFFAOYSA-N
XLogP2.36
TPSA93.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 37131062
[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 33120801
[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 34953369
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 37129641
(1-phenylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226792
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 9162740
cis-(1R,3S)-3-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065822
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 37132816
azepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 60667576
2-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile
CID 37129585
7-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-3-propan-2-yl-1H-quinazoline-2,4-dione
CID 39880184
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]cyclopent-3-ene-1-carboxylic acid
CID 167806447

Frequently Asked Questions

What is the IUPAC name of [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The IUPAC name of [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone (CID 37131059) is [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone is Nc1nc(CN2CCN(C(=O)c3cnn(-c4ccccc4)c3)CC2)nc2ccccc12.
What is the InChIKey of [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The InChIKey is HCEBJUDFBYLJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c24-22-19-8-4-5-9-20(19)26-21(27-22)16-28-10-12-29(13-11-28)23(31)17-14-25-30(15-17)18-6-2-1-3-7-18/h1-9,14-15H,10-13,16H2,(H2,24,26,27).
What are the key properties of [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone has a molecular weight of 413.49 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 37131059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).