N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine

C20H21N7O — CID 166631125

IUPACN-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine
SMILESCc1c(Nc2ncc3ccc(-c4ccn[nH]4)cc3n2)cnn1C1CCOCC1
InChIInChI=1S/C20H21N7O/c1-13-19(12-23-27(13)16-5-8-28-9-6-16)25-20-21-11-15-3-2-14(10-18(15)24-20)17-4-7-22-26-17/h2-4,7,10-12,16H,5-6,8-9H2,1H3,(H,22,26)(H,21,24,25)
InChIKeyKAUXHVVDZXBBRZ-UHFFFAOYSA-N
MW375.44 g/mol
LogP3.62
Rot. Bonds4

About N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine

N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine (PubChem CID 166631125) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine
PubChem CID166631125
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC NameN-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine
SMILESCc1c(Nc2ncc3ccc(-c4ccn[nH]4)cc3n2)cnn1C1CCOCC1
InChIInChI=1S/C20H21N7O/c1-13-19(12-23-27(13)16-5-8-28-9-6-16)25-20-21-11-15-3-2-14(10-18(15)24-20)17-4-7-22-26-17/h2-4,7,10-12,16H,5-6,8-9H2,1H3,(H,22,26)(H,21,24,25)
InChIKeyKAUXHVVDZXBBRZ-UHFFFAOYSA-N
XLogP3.62
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine?
The IUPAC name of N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine (CID 166631125) is N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine.
What is the SMILES notation for N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine?
The canonical SMILES for N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine is Cc1c(Nc2ncc3ccc(-c4ccn[nH]4)cc3n2)cnn1C1CCOCC1.
What is the InChIKey of N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine?
The InChIKey is KAUXHVVDZXBBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-13-19(12-23-27(13)16-5-8-28-9-6-16)25-20-21-11-15-3-2-14(10-18(15)24-20)17-4-7-22-26-17/h2-4,7,10-12,16H,5-6,8-9H2,1H3,(H,22,26)(H,21,24,25).
What are the key properties of N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine?
N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine has a molecular weight of 375.44 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine is sourced from PubChem (CID 166631125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).