8-cyclopentyl-5-ethyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one

C22H29N7O2 — CID 162658570

IUPAC8-cyclopentyl-5-ethyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one
SMILESCCN1C(=O)CN(C2CCCC2)c2nc(Nc3ccc(N4CCOCC4)cn3)ncc21
InChIInChI=1S/C22H29N7O2/c1-2-28-18-14-24-22(26-21(18)29(15-20(28)30)16-5-3-4-6-16)25-19-8-7-17(13-23-19)27-9-11-31-12-10-27/h7-8,13-14,16H,2-6,9-12,15H2,1H3,(H,23,24,25,26)
InChIKeyBFMSBDDMTDSHIU-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.57
Rot. Bonds5

About 8-cyclopentyl-5-ethyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one

8-cyclopentyl-5-ethyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one (PubChem CID 162658570) has the molecular formula C22H29N7O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 8-cyclopentyl-5-ethyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one.

Molecular Properties

Compound Name8-cyclopentyl-5-ethyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one
PubChem CID162658570
Molecular FormulaC22H29N7O2
Molecular Weight423.52 g/mol
Exact Mass423.24
IUPAC Name8-cyclopentyl-5-ethyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one
SMILESCCN1C(=O)CN(C2CCCC2)c2nc(Nc3ccc(N4CCOCC4)cn3)ncc21
InChIInChI=1S/C22H29N7O2/c1-2-28-18-14-24-22(26-21(18)29(15-20(28)30)16-5-3-4-6-16)25-19-8-7-17(13-23-19)27-9-11-31-12-10-27/h7-8,13-14,16H,2-6,9-12,15H2,1H3,(H,23,24,25,26)
InChIKeyBFMSBDDMTDSHIU-UHFFFAOYSA-N
XLogP2.57
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-cyclopentyl-5-ethyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one with MolForge

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Related Compounds

Palbociclib
CID 5330286
N-Ethyl-N'-(4-(4-((3S)-3-methylmorpholin-4-yl)-7-(pyrimidin-2-yl)-5,6,7,8-tetrahydropyrido(3,4-d)pyrimidin-2-yl)phenyl)urea
CID 59239114
Pyrido-[2,3-d]-pyrimidin-7-one 20
CID 5330262
8-cyclopentyl-6-fluoro-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330265
Pyrido-[2,3-d]-pyrimidin-7-one 23
CID 5330266
8-cyclopentyl-6-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330267
Pyrido-[2,3-d]-pyrimidin-7-one 25
CID 5330268
Pyrido-[2,3-d]-pyrimidin-7-one 27
CID 5330270
Pyrido-[2,3-d]-pyrimidin-7-one 28
CID 5330271
Pyrido-[2,3-d]-pyrimidin-7-one 29
CID 5330272
Pyrido-[2,3-d]-pyrimidin-7-one 30
CID 5330273
Pyrido-[2,3-d]-pyrimidin-7-one 31
CID 5330274

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-5-ethyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one?
The IUPAC name of 8-cyclopentyl-5-ethyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one (CID 162658570) is 8-cyclopentyl-5-ethyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one.
What is the SMILES notation for 8-cyclopentyl-5-ethyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one?
The canonical SMILES for 8-cyclopentyl-5-ethyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one is CCN1C(=O)CN(C2CCCC2)c2nc(Nc3ccc(N4CCOCC4)cn3)ncc21.
What is the InChIKey of 8-cyclopentyl-5-ethyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one?
The InChIKey is BFMSBDDMTDSHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O2/c1-2-28-18-14-24-22(26-21(18)29(15-20(28)30)16-5-3-4-6-16)25-19-8-7-17(13-23-19)27-9-11-31-12-10-27/h7-8,13-14,16H,2-6,9-12,15H2,1H3,(H,23,24,25,26).
What are the key properties of 8-cyclopentyl-5-ethyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one?
8-cyclopentyl-5-ethyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one has a molecular weight of 423.52 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-5-ethyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one is sourced from PubChem (CID 162658570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).