4-methyl-2-[(2S)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C24H31N5O3 — CID 92630068

IUPAC4-methyl-2-[(2S)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc([C@@H]2CCCCN2C(=O)COC(C)C)nc2c1CCC(=O)N2Cc1ccccn1
InChIInChI=1S/C24H31N5O3/c1-16(2)32-15-22(31)28-13-7-5-9-20(28)23-26-17(3)19-10-11-21(30)29(24(19)27-23)14-18-8-4-6-12-25-18/h4,6,8,12,16,20H,5,7,9-11,13-15H2,1-3H3/t20-/m0/s1
InChIKeyREBIUWFCPOKGFP-FQEVSTJZSA-N
MW437.54 g/mol
LogP3.14
Rot. Bonds6

About 4-methyl-2-[(2S)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

4-methyl-2-[(2S)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 92630068) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 4-methyl-2-[(2S)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-methyl-2-[(2S)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID92630068
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name4-methyl-2-[(2S)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc([C@@H]2CCCCN2C(=O)COC(C)C)nc2c1CCC(=O)N2Cc1ccccn1
InChIInChI=1S/C24H31N5O3/c1-16(2)32-15-22(31)28-13-7-5-9-20(28)23-26-17(3)19-10-11-21(30)29(24(19)27-23)14-18-8-4-6-12-25-18/h4,6,8,12,16,20H,5,7,9-11,13-15H2,1-3H3/t20-/m0/s1
InChIKeyREBIUWFCPOKGFP-FQEVSTJZSA-N
XLogP3.14
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[(2S)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2S)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-methyl-2-[(2S)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 92630068) is 4-methyl-2-[(2S)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-methyl-2-[(2S)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-methyl-2-[(2S)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc([C@@H]2CCCCN2C(=O)COC(C)C)nc2c1CCC(=O)N2Cc1ccccn1.
What is the InChIKey of 4-methyl-2-[(2S)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is REBIUWFCPOKGFP-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-16(2)32-15-22(31)28-13-7-5-9-20(28)23-26-17(3)19-10-11-21(30)29(24(19)27-23)14-18-8-4-6-12-25-18/h4,6,8,12,16,20H,5,7,9-11,13-15H2,1-3H3/t20-/m0/s1.
What are the key properties of 4-methyl-2-[(2S)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
4-methyl-2-[(2S)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 437.54 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2S)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 92630068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).