N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-4-amine

C27H34N6O3 — CID 151726288

About N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-4-amine

N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-4-amine (PubChem CID 151726288) has the molecular formula C27H34N6O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-4-amine.

Molecular Properties

• Compound Name: N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-4-amine
• PubChem CID: 151726288
• Molecular Formula: C27H34N6O3
• Molecular Weight: 490.61 g/mol
• Exact Mass: 490.27
• IUPAC Name: N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-4-amine
• SMILES: C[C@@H]1CN(c2cc(Nc3cc(Oc4cn(C5CC5)nc4C4CCOCC4)ccn3)ccn2)C[C@H](C)O1
• InChI: InChI=1S/C27H34N6O3/c1-18-15-32(16-19(2)35-18)26-13-21(5-9-29-26)30-25-14-23(6-10-28-25)36-24-17-33(22-3-4-22)31-27(24)20-7-11-34-12-8-20/h5-6,9-10,13-14,17-20,22H,3-4,7-8,11-12,15-16H2,1-2H3,(H,28,29,30)/t18-,19+
• InChIKey: RJQHLKCWPMUXOT-KDURUIRLSA-N
• XLogP: 5.05
• TPSA: 86.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.61
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-4-amine?

The IUPAC name of N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-4-amine (CID 151726288) is N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-4-amine.

What is the SMILES notation for N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-4-amine?

The canonical SMILES for N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-4-amine is C[C@@H]1CN(c2cc(Nc3cc(Oc4cn(C5CC5)nc4C4CCOCC4)ccn3)ccn2)C[C@H](C)O1.

What is the InChIKey of N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-4-amine?

The InChIKey is RJQHLKCWPMUXOT-KDURUIRLSA-N. The full InChI is InChI=1S/C27H34N6O3/c1-18-15-32(16-19(2)35-18)26-13-21(5-9-29-26)30-25-14-23(6-10-28-25)36-24-17-33(22-3-4-22)31-27(24)20-7-11-34-12-8-20/h5-6,9-10,13-14,17-20,22H,3-4,7-8,11-12,15-16H2,1-2H3,(H,28,29,30)/t18-,19+.

What are the key properties of N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-4-amine?

N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-4-amine has a molecular weight of 490.61 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-4-amine is sourced from PubChem (CID 151726288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).