[4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone

C26H27N7O3 — CID 44520811

IUPAC[4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(n2ncc3c(N4CCOCC4)nc(-c4cccc(O)c4)nc32)CC1
InChIInChI=1S/C26H27N7O3/c34-21-5-1-3-18(15-21)23-29-24(31-11-13-36-14-12-31)22-17-28-33(25(22)30-23)20-6-9-32(10-7-20)26(35)19-4-2-8-27-16-19/h1-5,8,15-17,20,34H,6-7,9-14H2
InChIKeyKBDGNZKHGIJJRT-UHFFFAOYSA-N
MW485.55 g/mol
LogP2.91
Rot. Bonds4

About [4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone

[4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 44520811) has the molecular formula C26H27N7O3 and a molecular weight of 485.55 g/mol. Its IUPAC name is [4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID44520811
Molecular FormulaC26H27N7O3
Molecular Weight485.55 g/mol
Exact Mass485.22
IUPAC Name[4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(n2ncc3c(N4CCOCC4)nc(-c4cccc(O)c4)nc32)CC1
InChIInChI=1S/C26H27N7O3/c34-21-5-1-3-18(15-21)23-29-24(31-11-13-36-14-12-31)22-17-28-33(25(22)30-23)20-6-9-32(10-7-20)26(35)19-4-2-8-27-16-19/h1-5,8,15-17,20,34H,6-7,9-14H2
InChIKeyKBDGNZKHGIJJRT-UHFFFAOYSA-N
XLogP2.91
TPSA109.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 44520811) is [4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC(n2ncc3c(N4CCOCC4)nc(-c4cccc(O)c4)nc32)CC1.
What is the InChIKey of [4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is KBDGNZKHGIJJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3/c34-21-5-1-3-18(15-21)23-29-24(31-11-13-36-14-12-31)22-17-28-33(25(22)30-23)20-6-9-32(10-7-20)26(35)19-4-2-8-27-16-19/h1-5,8,15-17,20,34H,6-7,9-14H2.
What are the key properties of [4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
[4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 485.55 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3-hydroxyphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 44520811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).