5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

C23H30N6O3 — CID 66959283

IUPAC5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NC3CCN(CCO)CC3)c2c1=O
InChIInChI=1S/C23H30N6O3/c1-23(2,32)19-5-4-15(13-24-19)17-12-18-20(22(31)28(3)14-25-18)21(27-17)26-16-6-8-29(9-7-16)10-11-30/h4-5,12-14,16,30,32H,6-11H2,1-3H3,(H,26,27)
InChIKeyYVPCHJKSDGCOPQ-UHFFFAOYSA-N
MW438.53 g/mol
LogP1.49
Rot. Bonds6

About 5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959283) has the molecular formula C23H30N6O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is 5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID66959283
Molecular FormulaC23H30N6O3
Molecular Weight438.53 g/mol
Exact Mass438.24
IUPAC Name5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NC3CCN(CCO)CC3)c2c1=O
InChIInChI=1S/C23H30N6O3/c1-23(2,32)19-5-4-15(13-24-19)17-12-18-20(22(31)28(3)14-25-18)21(27-17)26-16-6-8-29(9-7-16)10-11-30/h4-5,12-14,16,30,32H,6-11H2,1-3H3,(H,26,27)
InChIKeyYVPCHJKSDGCOPQ-UHFFFAOYSA-N
XLogP1.49
TPSA116.40 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 66959283) is 5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NC3CCN(CCO)CC3)c2c1=O.
What is the InChIKey of 5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is YVPCHJKSDGCOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3/c1-23(2,32)19-5-4-15(13-24-19)17-12-18-20(22(31)28(3)14-25-18)21(27-17)26-16-6-8-29(9-7-16)10-11-30/h4-5,12-14,16,30,32H,6-11H2,1-3H3,(H,26,27).
What are the key properties of 5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 438.53 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).