3-fluoro-6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine

C18H20F2N6O — CID 175767533

IUPAC3-fluoro-6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine
SMILESCC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ccc2F)[nH]n1
InChIInChI=1S/C18H20F2N6O/c1-10(2)27-17-8-16(25-26-17)24-18-13(20)5-7-15(23-18)22-11(3)14-6-4-12(19)9-21-14/h4-11H,1-3H3,(H3,22,23,24,25,26)/t11-/m0/s1
InChIKeyVUDASPWMJJDYFI-NSHDSACASA-N
MW374.40 g/mol
LogP4.18
Rot. Bonds7

About 3-fluoro-6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine

3-fluoro-6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine (PubChem CID 175767533) has the molecular formula C18H20F2N6O and a molecular weight of 374.40 g/mol. Its IUPAC name is 3-fluoro-6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3-fluoro-6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine
PubChem CID175767533
Molecular FormulaC18H20F2N6O
Molecular Weight374.40 g/mol
Exact Mass374.17
IUPAC Name3-fluoro-6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine
SMILESCC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ccc2F)[nH]n1
InChIInChI=1S/C18H20F2N6O/c1-10(2)27-17-8-16(25-26-17)24-18-13(20)5-7-15(23-18)22-11(3)14-6-4-12(19)9-21-14/h4-11H,1-3H3,(H3,22,23,24,25,26)/t11-/m0/s1
InChIKeyVUDASPWMJJDYFI-NSHDSACASA-N
XLogP4.18
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine?
The IUPAC name of 3-fluoro-6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine (CID 175767533) is 3-fluoro-6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine.
What is the SMILES notation for 3-fluoro-6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine?
The canonical SMILES for 3-fluoro-6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine is CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ccc2F)[nH]n1.
What is the InChIKey of 3-fluoro-6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine?
The InChIKey is VUDASPWMJJDYFI-NSHDSACASA-N. The full InChI is InChI=1S/C18H20F2N6O/c1-10(2)27-17-8-16(25-26-17)24-18-13(20)5-7-15(23-18)22-11(3)14-6-4-12(19)9-21-14/h4-11H,1-3H3,(H3,22,23,24,25,26)/t11-/m0/s1.
What are the key properties of 3-fluoro-6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine?
3-fluoro-6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine has a molecular weight of 374.40 g/mol, XLogP of 4.18, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine is sourced from PubChem (CID 175767533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).