morpholin-4-yl-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-yl]methanone

C25H29N7O2 — CID 167233000

IUPACmorpholin-4-yl-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-yl]methanone
SMILESO=C(C1CC2(CCN(c3nc(-c4ccncc4)nc4cnccc34)CC2)CN1)N1CCOCC1
InChIInChI=1S/C25H29N7O2/c33-24(32-11-13-34-14-12-32)20-15-25(17-28-20)4-9-31(10-5-25)23-19-3-8-27-16-21(19)29-22(30-23)18-1-6-26-7-2-18/h1-3,6-8,16,20,28H,4-5,9-15,17H2
InChIKeyCXRBSJSIORFWGM-UHFFFAOYSA-N
MW459.55 g/mol
LogP1.89
Rot. Bonds3

About morpholin-4-yl-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-yl]methanone

morpholin-4-yl-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-yl]methanone (PubChem CID 167233000) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is morpholin-4-yl-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-yl]methanone
PubChem CID167233000
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC Namemorpholin-4-yl-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-yl]methanone
SMILESO=C(C1CC2(CCN(c3nc(-c4ccncc4)nc4cnccc34)CC2)CN1)N1CCOCC1
InChIInChI=1S/C25H29N7O2/c33-24(32-11-13-34-14-12-32)20-15-25(17-28-20)4-9-31(10-5-25)23-19-3-8-27-16-21(19)29-22(30-23)18-1-6-26-7-2-18/h1-3,6-8,16,20,28H,4-5,9-15,17H2
InChIKeyCXRBSJSIORFWGM-UHFFFAOYSA-N
XLogP1.89
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-yl]methanone (CID 167233000) is morpholin-4-yl-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-yl]methanone is O=C(C1CC2(CCN(c3nc(-c4ccncc4)nc4cnccc34)CC2)CN1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-yl]methanone?
The InChIKey is CXRBSJSIORFWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2/c33-24(32-11-13-34-14-12-32)20-15-25(17-28-20)4-9-31(10-5-25)23-19-3-8-27-16-21(19)29-22(30-23)18-1-6-26-7-2-18/h1-3,6-8,16,20,28H,4-5,9-15,17H2.
What are the key properties of morpholin-4-yl-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-yl]methanone?
morpholin-4-yl-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-yl]methanone has a molecular weight of 459.55 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-yl]methanone is sourced from PubChem (CID 167233000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).