2-[4-[[6-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxypyrimidin-4-yl]amino]-2-pyridinyl]propan-2-ol

C23H28N6O3 — CID 155450817

IUPAC2-[4-[[6-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxypyrimidin-4-yl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cc(C4CC4)nn3C3CCOCC3)ncn2)ccn1
InChIInChI=1S/C23H28N6O3/c1-23(2,30)19-11-16(5-8-24-19)27-20-13-21(26-14-25-20)32-22-12-18(15-3-4-15)28-29(22)17-6-9-31-10-7-17/h5,8,11-15,17,30H,3-4,6-7,9-10H2,1-2H3,(H,24,25,26,27)
InChIKeyTYFSPWOAISTLAB-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.06
Rot. Bonds7

About 2-[4-[[6-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxypyrimidin-4-yl]amino]-2-pyridinyl]propan-2-ol

2-[4-[[6-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxypyrimidin-4-yl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 155450817) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 2-[4-[[6-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxypyrimidin-4-yl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[6-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxypyrimidin-4-yl]amino]-2-pyridinyl]propan-2-ol
PubChem CID155450817
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name2-[4-[[6-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxypyrimidin-4-yl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cc(C4CC4)nn3C3CCOCC3)ncn2)ccn1
InChIInChI=1S/C23H28N6O3/c1-23(2,30)19-11-16(5-8-24-19)27-20-13-21(26-14-25-20)32-22-12-18(15-3-4-15)28-29(22)17-6-9-31-10-7-17/h5,8,11-15,17,30H,3-4,6-7,9-10H2,1-2H3,(H,24,25,26,27)
InChIKeyTYFSPWOAISTLAB-UHFFFAOYSA-N
XLogP4.06
TPSA107.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxypyrimidin-4-yl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[6-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxypyrimidin-4-yl]amino]-2-pyridinyl]propan-2-ol (CID 155450817) is 2-[4-[[6-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxypyrimidin-4-yl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[6-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxypyrimidin-4-yl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[6-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxypyrimidin-4-yl]amino]-2-pyridinyl]propan-2-ol is CC(C)(O)c1cc(Nc2cc(Oc3cc(C4CC4)nn3C3CCOCC3)ncn2)ccn1.
What is the InChIKey of 2-[4-[[6-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxypyrimidin-4-yl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is TYFSPWOAISTLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-23(2,30)19-11-16(5-8-24-19)27-20-13-21(26-14-25-20)32-22-12-18(15-3-4-15)28-29(22)17-6-9-31-10-7-17/h5,8,11-15,17,30H,3-4,6-7,9-10H2,1-2H3,(H,24,25,26,27).
What are the key properties of 2-[4-[[6-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxypyrimidin-4-yl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[6-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxypyrimidin-4-yl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 436.52 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxypyrimidin-4-yl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155450817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).