7-fluoro-8-methyl-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-amine

C18H17FN6 — CID 66822203

IUPAC7-fluoro-8-methyl-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-amine
SMILESCc1c(F)ccc2cc([C@H](C)Nc3ccnc4ccnn34)c(N)nc12
InChIInChI=1S/C18H17FN6/c1-10-14(19)4-3-12-9-13(18(20)24-17(10)12)11(2)23-16-5-7-21-15-6-8-22-25(15)16/h3-9,11,23H,1-2H3,(H2,20,24)/t11-/m0/s1
InChIKeyUSFBNJXKCVPPRU-NSHDSACASA-N
MW336.37 g/mol
LogP3.48
Rot. Bonds3

About 7-fluoro-8-methyl-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-amine

7-fluoro-8-methyl-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-amine (PubChem CID 66822203) has the molecular formula C18H17FN6 and a molecular weight of 336.37 g/mol. Its IUPAC name is 7-fluoro-8-methyl-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-amine.

Molecular Properties

Compound Name7-fluoro-8-methyl-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-amine
PubChem CID66822203
Molecular FormulaC18H17FN6
Molecular Weight336.37 g/mol
Exact Mass336.15
IUPAC Name7-fluoro-8-methyl-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-amine
SMILESCc1c(F)ccc2cc([C@H](C)Nc3ccnc4ccnn34)c(N)nc12
InChIInChI=1S/C18H17FN6/c1-10-14(19)4-3-12-9-13(18(20)24-17(10)12)11(2)23-16-5-7-21-15-6-8-22-25(15)16/h3-9,11,23H,1-2H3,(H2,20,24)/t11-/m0/s1
InChIKeyUSFBNJXKCVPPRU-NSHDSACASA-N
XLogP3.48
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-fluoro-8-methyl-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-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 7-fluoro-8-methyl-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-amine?
The IUPAC name of 7-fluoro-8-methyl-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-amine (CID 66822203) is 7-fluoro-8-methyl-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-amine.
What is the SMILES notation for 7-fluoro-8-methyl-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-amine?
The canonical SMILES for 7-fluoro-8-methyl-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-amine is Cc1c(F)ccc2cc([C@H](C)Nc3ccnc4ccnn34)c(N)nc12.
What is the InChIKey of 7-fluoro-8-methyl-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-amine?
The InChIKey is USFBNJXKCVPPRU-NSHDSACASA-N. The full InChI is InChI=1S/C18H17FN6/c1-10-14(19)4-3-12-9-13(18(20)24-17(10)12)11(2)23-16-5-7-21-15-6-8-22-25(15)16/h3-9,11,23H,1-2H3,(H2,20,24)/t11-/m0/s1.
What are the key properties of 7-fluoro-8-methyl-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-amine?
7-fluoro-8-methyl-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-amine has a molecular weight of 336.37 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-methyl-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-amine is sourced from PubChem (CID 66822203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).