N-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine

C22H21FN6O — CID 70920903

IUPACN-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine
SMILESFc1cc(Nc2ncc3ccc(OC4CCNCC4)cc3n2)ccc1-c1cn[nH]c1
InChIInChI=1S/C22H21FN6O/c23-20-9-16(2-4-19(20)15-12-26-27-13-15)28-22-25-11-14-1-3-18(10-21(14)29-22)30-17-5-7-24-8-6-17/h1-4,9-13,17,24H,5-8H2,(H,26,27)(H,25,28,29)
InChIKeyIMTBKOSHAVUORG-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.03
Rot. Bonds5

About N-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine

N-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine (PubChem CID 70920903) has the molecular formula C22H21FN6O and a molecular weight of 404.45 g/mol. Its IUPAC name is N-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine.

Molecular Properties

Compound NameN-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine
PubChem CID70920903
Molecular FormulaC22H21FN6O
Molecular Weight404.45 g/mol
Exact Mass404.18
IUPAC NameN-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine
SMILESFc1cc(Nc2ncc3ccc(OC4CCNCC4)cc3n2)ccc1-c1cn[nH]c1
InChIInChI=1S/C22H21FN6O/c23-20-9-16(2-4-19(20)15-12-26-27-13-15)28-22-25-11-14-1-3-18(10-21(14)29-22)30-17-5-7-24-8-6-17/h1-4,9-13,17,24H,5-8H2,(H,26,27)(H,25,28,29)
InChIKeyIMTBKOSHAVUORG-UHFFFAOYSA-N
XLogP4.03
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]-7-piperidin-4-yloxyquinazolin-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

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine?
The IUPAC name of N-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine (CID 70920903) is N-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine.
What is the SMILES notation for N-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine?
The canonical SMILES for N-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine is Fc1cc(Nc2ncc3ccc(OC4CCNCC4)cc3n2)ccc1-c1cn[nH]c1.
What is the InChIKey of N-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine?
The InChIKey is IMTBKOSHAVUORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O/c23-20-9-16(2-4-19(20)15-12-26-27-13-15)28-22-25-11-14-1-3-18(10-21(14)29-22)30-17-5-7-24-8-6-17/h1-4,9-13,17,24H,5-8H2,(H,26,27)(H,25,28,29).
What are the key properties of N-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine?
N-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine has a molecular weight of 404.45 g/mol, XLogP of 4.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine is sourced from PubChem (CID 70920903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).