(4S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-4-fluoro-2-methylpentan-2-ol

C17H21FN6O — CID 154649435

IUPAC(4S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-4-fluoro-2-methylpentan-2-ol
SMILESCC(C)(O)C[C@H](F)CNc1nc(N)nc2cc(-c3ccn[nH]3)ccc12
InChIInChI=1S/C17H21FN6O/c1-17(2,25)8-11(18)9-20-15-12-4-3-10(13-5-6-21-24-13)7-14(12)22-16(19)23-15/h3-7,11,25H,8-9H2,1-2H3,(H,21,24)(H3,19,20,22,23)/t11-/m0/s1
InChIKeyAWAYAWNCILYRMF-NSHDSACASA-N
MW344.39 g/mol
LogP2.51
Rot. Bonds6

About (4S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-4-fluoro-2-methylpentan-2-ol

(4S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-4-fluoro-2-methylpentan-2-ol (PubChem CID 154649435) has the molecular formula C17H21FN6O and a molecular weight of 344.39 g/mol. Its IUPAC name is (4S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-4-fluoro-2-methylpentan-2-ol.

Molecular Properties

Compound Name(4S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-4-fluoro-2-methylpentan-2-ol
PubChem CID154649435
Molecular FormulaC17H21FN6O
Molecular Weight344.39 g/mol
Exact Mass344.18
IUPAC Name(4S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-4-fluoro-2-methylpentan-2-ol
SMILESCC(C)(O)C[C@H](F)CNc1nc(N)nc2cc(-c3ccn[nH]3)ccc12
InChIInChI=1S/C17H21FN6O/c1-17(2,25)8-11(18)9-20-15-12-4-3-10(13-5-6-21-24-13)7-14(12)22-16(19)23-15/h3-7,11,25H,8-9H2,1-2H3,(H,21,24)(H3,19,20,22,23)/t11-/m0/s1
InChIKeyAWAYAWNCILYRMF-NSHDSACASA-N
XLogP2.51
TPSA112.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-4-fluoro-2-methylpentan-2-ol?
The IUPAC name of (4S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-4-fluoro-2-methylpentan-2-ol (CID 154649435) is (4S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-4-fluoro-2-methylpentan-2-ol.
What is the SMILES notation for (4S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-4-fluoro-2-methylpentan-2-ol?
The canonical SMILES for (4S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-4-fluoro-2-methylpentan-2-ol is CC(C)(O)C[C@H](F)CNc1nc(N)nc2cc(-c3ccn[nH]3)ccc12.
What is the InChIKey of (4S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-4-fluoro-2-methylpentan-2-ol?
The InChIKey is AWAYAWNCILYRMF-NSHDSACASA-N. The full InChI is InChI=1S/C17H21FN6O/c1-17(2,25)8-11(18)9-20-15-12-4-3-10(13-5-6-21-24-13)7-14(12)22-16(19)23-15/h3-7,11,25H,8-9H2,1-2H3,(H,21,24)(H3,19,20,22,23)/t11-/m0/s1.
What are the key properties of (4S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-4-fluoro-2-methylpentan-2-ol?
(4S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-4-fluoro-2-methylpentan-2-ol has a molecular weight of 344.39 g/mol, XLogP of 2.51, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-4-fluoro-2-methylpentan-2-ol is sourced from PubChem (CID 154649435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).