N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine

C20H22N8 — CID 168990722

IUPACN-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine
SMILESCN1CCC(n2cc(Nc3ncc4ccc(-c5cn[nH]c5)cc4n3)cn2)CC1
InChIInChI=1S/C20H22N8/c1-27-6-4-18(5-7-27)28-13-17(12-24-28)25-20-21-9-15-3-2-14(8-19(15)26-20)16-10-22-23-11-16/h2-3,8-13,18H,4-7H2,1H3,(H,22,23)(H,21,25,26)
InChIKeyWXORTTQDMMIXBR-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.23
Rot. Bonds4

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

N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine (PubChem CID 168990722) has the molecular formula C20H22N8 and a molecular weight of 374.45 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine
PubChem CID168990722
Molecular FormulaC20H22N8
Molecular Weight374.45 g/mol
Exact Mass374.20
IUPAC NameN-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine
SMILESCN1CCC(n2cc(Nc3ncc4ccc(-c5cn[nH]c5)cc4n3)cn2)CC1
InChIInChI=1S/C20H22N8/c1-27-6-4-18(5-7-27)28-13-17(12-24-28)25-20-21-9-15-3-2-14(8-19(15)26-20)16-10-22-23-11-16/h2-3,8-13,18H,4-7H2,1H3,(H,22,23)(H,21,25,26)
InChIKeyWXORTTQDMMIXBR-UHFFFAOYSA-N
XLogP3.23
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine
CID 168990717
2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-ol
CID 169158124
4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol
CID 155204644
5-chloro-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 172824528
4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 169158202
2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-4-N-quinolin-6-ylpyrimidine-2,4,5-triamine
CID 90390043
ethane;4-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 145336742
N-(cyanomethyl)-4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide
CID 154940246
N-(1-cyanopropyl)-4-[5-fluoro-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide
CID 165161622
1-[[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-phosphanylphenoxy]methyl]cyclopropane-1-carbonitrile
CID 174258728
4-N-(2-dimethylphosphorylphenyl)-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 140936141
4-N-(cyclopropylmethyl)-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 129276038

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine?
The IUPAC name of N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine (CID 168990722) is N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine.
What is the SMILES notation for N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine?
The canonical SMILES for N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine is CN1CCC(n2cc(Nc3ncc4ccc(-c5cn[nH]c5)cc4n3)cn2)CC1.
What is the InChIKey of N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine?
The InChIKey is WXORTTQDMMIXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8/c1-27-6-4-18(5-7-27)28-13-17(12-24-28)25-20-21-9-15-3-2-14(8-19(15)26-20)16-10-22-23-11-16/h2-3,8-13,18H,4-7H2,1H3,(H,22,23)(H,21,25,26).
What are the key properties of N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine?
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine has a molecular weight of 374.45 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine is sourced from PubChem (CID 168990722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).