[2-[2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-3-pyridinyl]-1,3-benzoxazol-7-yl]methanol

C22H24N6O2 — CID 68654823

IUPAC[2-[2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-3-pyridinyl]-1,3-benzoxazol-7-yl]methanol
SMILESCN1CCC(c2[nH]ncc2-c2cnc(N)c(-c3nc4cccc(CO)c4o3)c2)CC1
InChIInChI=1S/C22H24N6O2/c1-28-7-5-13(6-8-28)19-17(11-25-27-19)15-9-16(21(23)24-10-15)22-26-18-4-2-3-14(12-29)20(18)30-22/h2-4,9-11,13,29H,5-8,12H2,1H3,(H2,23,24)(H,25,27)
InChIKeyWHUIPLXJRCFGDF-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.16
Rot. Bonds4

About [2-[2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-3-pyridinyl]-1,3-benzoxazol-7-yl]methanol

[2-[2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-3-pyridinyl]-1,3-benzoxazol-7-yl]methanol (PubChem CID 68654823) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is [2-[2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-3-pyridinyl]-1,3-benzoxazol-7-yl]methanol.

Molecular Properties

Compound Name[2-[2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-3-pyridinyl]-1,3-benzoxazol-7-yl]methanol
PubChem CID68654823
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name[2-[2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-3-pyridinyl]-1,3-benzoxazol-7-yl]methanol
SMILESCN1CCC(c2[nH]ncc2-c2cnc(N)c(-c3nc4cccc(CO)c4o3)c2)CC1
InChIInChI=1S/C22H24N6O2/c1-28-7-5-13(6-8-28)19-17(11-25-27-19)15-9-16(21(23)24-10-15)22-26-18-4-2-3-14(12-29)20(18)30-22/h2-4,9-11,13,29H,5-8,12H2,1H3,(H2,23,24)(H,25,27)
InChIKeyWHUIPLXJRCFGDF-UHFFFAOYSA-N
XLogP3.16
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-3-pyridinyl]-1,3-benzoxazol-7-yl]methanol?
The IUPAC name of [2-[2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-3-pyridinyl]-1,3-benzoxazol-7-yl]methanol (CID 68654823) is [2-[2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-3-pyridinyl]-1,3-benzoxazol-7-yl]methanol.
What is the SMILES notation for [2-[2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-3-pyridinyl]-1,3-benzoxazol-7-yl]methanol?
The canonical SMILES for [2-[2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-3-pyridinyl]-1,3-benzoxazol-7-yl]methanol is CN1CCC(c2[nH]ncc2-c2cnc(N)c(-c3nc4cccc(CO)c4o3)c2)CC1.
What is the InChIKey of [2-[2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-3-pyridinyl]-1,3-benzoxazol-7-yl]methanol?
The InChIKey is WHUIPLXJRCFGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-28-7-5-13(6-8-28)19-17(11-25-27-19)15-9-16(21(23)24-10-15)22-26-18-4-2-3-14(12-29)20(18)30-22/h2-4,9-11,13,29H,5-8,12H2,1H3,(H2,23,24)(H,25,27).
What are the key properties of [2-[2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-3-pyridinyl]-1,3-benzoxazol-7-yl]methanol?
[2-[2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-3-pyridinyl]-1,3-benzoxazol-7-yl]methanol has a molecular weight of 404.47 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-3-pyridinyl]-1,3-benzoxazol-7-yl]methanol is sourced from PubChem (CID 68654823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).