4-(5-amino-4-fluoropyrazol-1-yl)-6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-amine

C14H19FN6O — CID 171069212

IUPAC4-(5-amino-4-fluoropyrazol-1-yl)-6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-amine
SMILESC[C@H]1CN(c2cc(-n3ncc(F)c3N)c(N)cn2)C[C@H](C)O1
InChIInChI=1S/C14H19FN6O/c1-8-6-20(7-9(2)22-8)13-3-12(11(16)5-18-13)21-14(17)10(15)4-19-21/h3-5,8-9H,6-7,16-17H2,1-2H3/t8-,9-/m0/s1
InChIKeyHKYUOTUHHSKOHJ-IUCAKERBSA-N
MW306.35 g/mol
LogP1.18
Rot. Bonds2

About 4-(5-amino-4-fluoropyrazol-1-yl)-6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-amine

4-(5-amino-4-fluoropyrazol-1-yl)-6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-amine (PubChem CID 171069212) has the molecular formula C14H19FN6O and a molecular weight of 306.35 g/mol. Its IUPAC name is 4-(5-amino-4-fluoropyrazol-1-yl)-6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-amine.

Molecular Properties

Compound Name4-(5-amino-4-fluoropyrazol-1-yl)-6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-amine
PubChem CID171069212
Molecular FormulaC14H19FN6O
Molecular Weight306.35 g/mol
Exact Mass306.16
IUPAC Name4-(5-amino-4-fluoropyrazol-1-yl)-6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-amine
SMILESC[C@H]1CN(c2cc(-n3ncc(F)c3N)c(N)cn2)C[C@H](C)O1
InChIInChI=1S/C14H19FN6O/c1-8-6-20(7-9(2)22-8)13-3-12(11(16)5-18-13)21-14(17)10(15)4-19-21/h3-5,8-9H,6-7,16-17H2,1-2H3/t8-,9-/m0/s1
InChIKeyHKYUOTUHHSKOHJ-IUCAKERBSA-N
XLogP1.18
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-4-fluoropyrazol-1-yl)-6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-amine?
The IUPAC name of 4-(5-amino-4-fluoropyrazol-1-yl)-6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-amine (CID 171069212) is 4-(5-amino-4-fluoropyrazol-1-yl)-6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-amine.
What is the SMILES notation for 4-(5-amino-4-fluoropyrazol-1-yl)-6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-amine?
The canonical SMILES for 4-(5-amino-4-fluoropyrazol-1-yl)-6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-amine is C[C@H]1CN(c2cc(-n3ncc(F)c3N)c(N)cn2)C[C@H](C)O1.
What is the InChIKey of 4-(5-amino-4-fluoropyrazol-1-yl)-6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-amine?
The InChIKey is HKYUOTUHHSKOHJ-IUCAKERBSA-N. The full InChI is InChI=1S/C14H19FN6O/c1-8-6-20(7-9(2)22-8)13-3-12(11(16)5-18-13)21-14(17)10(15)4-19-21/h3-5,8-9H,6-7,16-17H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of 4-(5-amino-4-fluoropyrazol-1-yl)-6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-amine?
4-(5-amino-4-fluoropyrazol-1-yl)-6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-amine has a molecular weight of 306.35 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-4-fluoropyrazol-1-yl)-6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-amine is sourced from PubChem (CID 171069212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).