8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]-7H-pteridin-6-one

C22H29N7O — CID 162670309

IUPAC8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]-7H-pteridin-6-one
SMILESCN1C(=O)CN(C2CCCC2)c2nc(Nc3ccc(N4CCCCC4)cn3)ncc21
InChIInChI=1S/C22H29N7O/c1-27-18-14-24-22(26-21(18)29(15-20(27)30)16-7-3-4-8-16)25-19-10-9-17(13-23-19)28-11-5-2-6-12-28/h9-10,13-14,16H,2-8,11-12,15H2,1H3,(H,23,24,25,26)
InChIKeyOJGQNFLYZHVEFU-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.33
Rot. Bonds4

About 8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]-7H-pteridin-6-one

8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]-7H-pteridin-6-one (PubChem CID 162670309) has the molecular formula C22H29N7O and a molecular weight of 407.52 g/mol. Its IUPAC name is 8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]-7H-pteridin-6-one.

Molecular Properties

Compound Name8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]-7H-pteridin-6-one
PubChem CID162670309
Molecular FormulaC22H29N7O
Molecular Weight407.52 g/mol
Exact Mass407.24
IUPAC Name8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]-7H-pteridin-6-one
SMILESCN1C(=O)CN(C2CCCC2)c2nc(Nc3ccc(N4CCCCC4)cn3)ncc21
InChIInChI=1S/C22H29N7O/c1-27-18-14-24-22(26-21(18)29(15-20(27)30)16-7-3-4-8-16)25-19-10-9-17(13-23-19)28-11-5-2-6-12-28/h9-10,13-14,16H,2-8,11-12,15H2,1H3,(H,23,24,25,26)
InChIKeyOJGQNFLYZHVEFU-UHFFFAOYSA-N
XLogP3.33
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]-7H-pteridin-6-one?
The IUPAC name of 8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]-7H-pteridin-6-one (CID 162670309) is 8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]-7H-pteridin-6-one.
What is the SMILES notation for 8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]-7H-pteridin-6-one?
The canonical SMILES for 8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]-7H-pteridin-6-one is CN1C(=O)CN(C2CCCC2)c2nc(Nc3ccc(N4CCCCC4)cn3)ncc21.
What is the InChIKey of 8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]-7H-pteridin-6-one?
The InChIKey is OJGQNFLYZHVEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O/c1-27-18-14-24-22(26-21(18)29(15-20(27)30)16-7-3-4-8-16)25-19-10-9-17(13-23-19)28-11-5-2-6-12-28/h9-10,13-14,16H,2-8,11-12,15H2,1H3,(H,23,24,25,26).
What are the key properties of 8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]-7H-pteridin-6-one?
8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]-7H-pteridin-6-one has a molecular weight of 407.52 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]-7H-pteridin-6-one is sourced from PubChem (CID 162670309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).