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

C28H28N8O2 — CID 44520825

IUPAC[4-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(n2ncc3c(N4CCOCC4)nc(-c4ccc5[nH]ccc5c4)nc32)CC1
InChIInChI=1S/C28H28N8O2/c37-28(21-2-1-8-29-17-21)35-10-6-22(7-11-35)36-27-23(18-31-36)26(34-12-14-38-15-13-34)32-25(33-27)20-3-4-24-19(16-20)5-9-30-24/h1-5,8-9,16-18,22,30H,6-7,10-15H2
InChIKeyDPTZAZDLROZORV-UHFFFAOYSA-N
MW508.59 g/mol
LogP3.68
Rot. Bonds4

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

[4-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 44520825) has the molecular formula C28H28N8O2 and a molecular weight of 508.59 g/mol. Its IUPAC name is [4-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID44520825
Molecular FormulaC28H28N8O2
Molecular Weight508.59 g/mol
Exact Mass508.23
IUPAC Name[4-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(n2ncc3c(N4CCOCC4)nc(-c4ccc5[nH]ccc5c4)nc32)CC1
InChIInChI=1S/C28H28N8O2/c37-28(21-2-1-8-29-17-21)35-10-6-22(7-11-35)36-27-23(18-31-36)26(34-12-14-38-15-13-34)32-25(33-27)20-3-4-24-19(16-20)5-9-30-24/h1-5,8-9,16-18,22,30H,6-7,10-15H2
InChIKeyDPTZAZDLROZORV-UHFFFAOYSA-N
XLogP3.68
TPSA105.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.59
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 44520825) is [4-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC(n2ncc3c(N4CCOCC4)nc(-c4ccc5[nH]ccc5c4)nc32)CC1.
What is the InChIKey of [4-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is DPTZAZDLROZORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N8O2/c37-28(21-2-1-8-29-17-21)35-10-6-22(7-11-35)36-27-23(18-31-36)26(34-12-14-38-15-13-34)32-25(33-27)20-3-4-24-19(16-20)5-9-30-24/h1-5,8-9,16-18,22,30H,6-7,10-15H2.
What are the key properties of [4-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
[4-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 508.59 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 44520825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).