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

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Related Compounds

4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,3-c]pyridine
CID 74223726
Pyrazolo[1,5-b]pyridazine deriv. 62
CID 6539404
Pyrazolo[1,5-b]pyridazine deriv. 67
CID 6539409
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(4-methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine
CID 6539414
Pyrazolo[1,5-b]pyridazine deriv. 101
CID 6539443
Pyrazole, 16
CID 11567059
Pyrazolo[1,5-b]pyridazine deriv. 56
CID 6539398
(6,7-Diethoxy-quinazolin-4-yl)-[3-(1H-pyrazol-3-yl)-phenyl]-amine
CID 10287149
4-(1H-indol-3-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidin-2-amine
CID 10501266
(1S,3S)-N1-((1,3-dimethyl-1H-pyrazol-4-yl)methyl)-N3-(7-methoxy-4-methylquinolin-2-yl)cyclohexane-1,3-diamine
CID 11211551
N1-(2-(6-methoxychroman-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl)-N1,N2,N2-trimethylethane-1,2-diamine
CID 53318621

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).