2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]acetonitrile

C22H19N7O — CID 10178929

IUPAC2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]acetonitrile
SMILESN#CCOc1ccc(Nc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1
InChIInChI=1S/C22H19N7O/c23-11-12-30-16-9-7-15(8-10-16)24-22-25-18-4-2-1-3-17(18)21(27-22)26-20-13-19(28-29-20)14-5-6-14/h1-4,7-10,13-14H,5-6,12H2,(H3,24,25,26,27,28,29)
InChIKeyFXAHTUSACJWZFI-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.62
Rot. Bonds7

About 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]acetonitrile

2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]acetonitrile (PubChem CID 10178929) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]acetonitrile
PubChem CID10178929
Molecular FormulaC22H19N7O
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC Name2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]acetonitrile
SMILESN#CCOc1ccc(Nc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1
InChIInChI=1S/C22H19N7O/c23-11-12-30-16-9-7-15(8-10-16)24-22-25-18-4-2-1-3-17(18)21(27-22)26-20-13-19(28-29-20)14-5-6-14/h1-4,7-10,13-14H,5-6,12H2,(H3,24,25,26,27,28,29)
InChIKeyFXAHTUSACJWZFI-UHFFFAOYSA-N
XLogP4.62
TPSA111.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]acetonitrile with MolForge

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Related Compounds

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(methylsulfonylmethyl)phenyl]quinazoline-2,4-diamine
CID 177020193
2-N-(cyclopropylmethyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 70693804
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 10109287
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 59758147
2-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile
CID 58169245
N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide
CID 25070810
2-(2-chlorophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10271923
2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl]amino]phenyl]acetonitrile
CID 23624249
4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine
CID 59682688
6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[2-(iodomethyl)phenyl]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one
CID 89337900
(2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,4-d]pyrimidin-2-yl]amino]-2-phenylethanol
CID 68936759
6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methoxymethyl]-1,2-dihydroindazol-3-one
CID 58936121

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]acetonitrile?
The IUPAC name of 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]acetonitrile (CID 10178929) is 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]acetonitrile.
What is the SMILES notation for 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]acetonitrile?
The canonical SMILES for 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]acetonitrile is N#CCOc1ccc(Nc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1.
What is the InChIKey of 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]acetonitrile?
The InChIKey is FXAHTUSACJWZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c23-11-12-30-16-9-7-15(8-10-16)24-22-25-18-4-2-1-3-17(18)21(27-22)26-20-13-19(28-29-20)14-5-6-14/h1-4,7-10,13-14H,5-6,12H2,(H3,24,25,26,27,28,29).
What are the key properties of 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]acetonitrile?
2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]acetonitrile has a molecular weight of 397.44 g/mol, XLogP of 4.62, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]acetonitrile is sourced from PubChem (CID 10178929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).