N-(2-fluoro-4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine

C22H23FN6O — CID 167570805

IUPACN-(2-fluoro-4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine
SMILESCC(C)n1ncc2ccc3cnc(Nc4ccc(N5CCOCC5)cc4F)nc3c21
InChIInChI=1S/C22H23FN6O/c1-14(2)29-21-16(13-25-29)4-3-15-12-24-22(27-20(15)21)26-19-6-5-17(11-18(19)23)28-7-9-30-10-8-28/h3-6,11-14H,7-10H2,1-2H3,(H,24,26,27)
InChIKeyZMNVNAZYQZFQGJ-UHFFFAOYSA-N
MW406.47 g/mol
LogP4.28
Rot. Bonds4

About N-(2-fluoro-4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine

N-(2-fluoro-4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine (PubChem CID 167570805) has the molecular formula C22H23FN6O and a molecular weight of 406.47 g/mol. Its IUPAC name is N-(2-fluoro-4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine
PubChem CID167570805
Molecular FormulaC22H23FN6O
Molecular Weight406.47 g/mol
Exact Mass406.19
IUPAC NameN-(2-fluoro-4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine
SMILESCC(C)n1ncc2ccc3cnc(Nc4ccc(N5CCOCC5)cc4F)nc3c21
InChIInChI=1S/C22H23FN6O/c1-14(2)29-21-16(13-25-29)4-3-15-12-24-22(27-20(15)21)26-19-6-5-17(11-18(19)23)28-7-9-30-10-8-28/h3-6,11-14H,7-10H2,1-2H3,(H,24,26,27)
InChIKeyZMNVNAZYQZFQGJ-UHFFFAOYSA-N
XLogP4.28
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-N-(2-morpholin-4-ylethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine
CID 167707859
1-ethyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[4,5-h]quinazolin-8-amine
CID 154938985
N-[2-[[5-chloro-2-(2-fluoro-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 46946007
N-[5-(2,7-diazaspiro[3.5]nonan-7-yl)-3,4-dihydropyridin-2-yl]-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine
CID 163471305
9-ethyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine
CID 167655081
4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine
CID 154939051
N-[2-[[8-(cyclopropylamino)-7-(2,6-difluoro-3,5-dimethoxybenzoyl)quinazolin-2-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide
CID 154940260
N-(3-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101733
5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 117077966
8-[amino(2-methylpropyl)amino]-2-N-(5-morpholin-4-yl-2-pyridinyl)quinazoline-2,7-diamine
CID 167046550
N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101585
N-[2-[7-fluoro-2-(4-morpholin-4-ylanilino)quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 118162939

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine?
The IUPAC name of N-(2-fluoro-4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine (CID 167570805) is N-(2-fluoro-4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine.
What is the SMILES notation for N-(2-fluoro-4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine?
The canonical SMILES for N-(2-fluoro-4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine is CC(C)n1ncc2ccc3cnc(Nc4ccc(N5CCOCC5)cc4F)nc3c21.
What is the InChIKey of N-(2-fluoro-4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine?
The InChIKey is ZMNVNAZYQZFQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O/c1-14(2)29-21-16(13-25-29)4-3-15-12-24-22(27-20(15)21)26-19-6-5-17(11-18(19)23)28-7-9-30-10-8-28/h3-6,11-14H,7-10H2,1-2H3,(H,24,26,27).
What are the key properties of N-(2-fluoro-4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine?
N-(2-fluoro-4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine has a molecular weight of 406.47 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine is sourced from PubChem (CID 167570805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).