8-(cyclopropylmethyl)-2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C23H32N6O — CID 110260656

IUPAC8-(cyclopropylmethyl)-2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCCCN2Cc2cnn(C)c2C)nc2c1CCC(=O)N2CC1CC1
InChIInChI=1S/C23H32N6O/c1-15-19-9-10-21(30)29(13-17-7-8-17)23(19)26-22(25-15)20-6-4-5-11-28(20)14-18-12-24-27(3)16(18)2/h12,17,20H,4-11,13-14H2,1-3H3
InChIKeyMEAHWZNVDGRPKO-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.24
Rot. Bonds5

About 8-(cyclopropylmethyl)-2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

8-(cyclopropylmethyl)-2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 110260656) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID110260656
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC Name8-(cyclopropylmethyl)-2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCCCN2Cc2cnn(C)c2C)nc2c1CCC(=O)N2CC1CC1
InChIInChI=1S/C23H32N6O/c1-15-19-9-10-21(30)29(13-17-7-8-17)23(19)26-22(25-15)20-6-4-5-11-28(20)14-18-12-24-27(3)16(18)2/h12,17,20H,4-11,13-14H2,1-3H3
InChIKeyMEAHWZNVDGRPKO-UHFFFAOYSA-N
XLogP3.24
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(cyclopropylmethyl)-2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 110260656) is 8-(cyclopropylmethyl)-2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(cyclopropylmethyl)-2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(cyclopropylmethyl)-2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C2CCCCN2Cc2cnn(C)c2C)nc2c1CCC(=O)N2CC1CC1.
What is the InChIKey of 8-(cyclopropylmethyl)-2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MEAHWZNVDGRPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O/c1-15-19-9-10-21(30)29(13-17-7-8-17)23(19)26-22(25-15)20-6-4-5-11-28(20)14-18-12-24-27(3)16(18)2/h12,17,20H,4-11,13-14H2,1-3H3.
What are the key properties of 8-(cyclopropylmethyl)-2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-(cyclopropylmethyl)-2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 408.55 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethyl)-2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 110260656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).