6,7-dicyclopropyl-1-(2,6-diethylphenyl)-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

C28H35N5O — CID 146235652

IUPAC6,7-dicyclopropyl-1-(2,6-diethylphenyl)-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
SMILESCCc1cccc(CC)c1-n1c(=O)nc(N2CCNC[C@@H]2C)c2cc(C3CC3)c(C3CC3)nc21
InChIInChI=1S/C28H35N5O/c1-4-18-7-6-8-19(5-2)25(18)33-27-23(15-22(20-9-10-20)24(30-27)21-11-12-21)26(31-28(33)34)32-14-13-29-16-17(32)3/h6-8,15,17,20-21,29H,4-5,9-14,16H2,1-3H3/t17-/m0/s1
InChIKeyGHZFJRABBWXRGG-KRWDZBQOSA-N
MW457.62 g/mol
LogP4.46
Rot. Bonds6

About 6,7-dicyclopropyl-1-(2,6-diethylphenyl)-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

6,7-dicyclopropyl-1-(2,6-diethylphenyl)-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 146235652) has the molecular formula C28H35N5O and a molecular weight of 457.62 g/mol. Its IUPAC name is 6,7-dicyclopropyl-1-(2,6-diethylphenyl)-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name6,7-dicyclopropyl-1-(2,6-diethylphenyl)-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
PubChem CID146235652
Molecular FormulaC28H35N5O
Molecular Weight457.62 g/mol
Exact Mass457.28
IUPAC Name6,7-dicyclopropyl-1-(2,6-diethylphenyl)-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
SMILESCCc1cccc(CC)c1-n1c(=O)nc(N2CCNC[C@@H]2C)c2cc(C3CC3)c(C3CC3)nc21
InChIInChI=1S/C28H35N5O/c1-4-18-7-6-8-19(5-2)25(18)33-27-23(15-22(20-9-10-20)24(30-27)21-11-12-21)26(31-28(33)34)32-14-13-29-16-17(32)3/h6-8,15,17,20-21,29H,4-5,9-14,16H2,1-3H3/t17-/m0/s1
InChIKeyGHZFJRABBWXRGG-KRWDZBQOSA-N
XLogP4.46
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dicyclopropyl-1-(2,6-diethylphenyl)-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 6,7-dicyclopropyl-1-(2,6-diethylphenyl)-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (CID 146235652) is 6,7-dicyclopropyl-1-(2,6-diethylphenyl)-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 6,7-dicyclopropyl-1-(2,6-diethylphenyl)-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 6,7-dicyclopropyl-1-(2,6-diethylphenyl)-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one is CCc1cccc(CC)c1-n1c(=O)nc(N2CCNC[C@@H]2C)c2cc(C3CC3)c(C3CC3)nc21.
What is the InChIKey of 6,7-dicyclopropyl-1-(2,6-diethylphenyl)-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is GHZFJRABBWXRGG-KRWDZBQOSA-N. The full InChI is InChI=1S/C28H35N5O/c1-4-18-7-6-8-19(5-2)25(18)33-27-23(15-22(20-9-10-20)24(30-27)21-11-12-21)26(31-28(33)34)32-14-13-29-16-17(32)3/h6-8,15,17,20-21,29H,4-5,9-14,16H2,1-3H3/t17-/m0/s1.
What are the key properties of 6,7-dicyclopropyl-1-(2,6-diethylphenyl)-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?
6,7-dicyclopropyl-1-(2,6-diethylphenyl)-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 457.62 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dicyclopropyl-1-(2,6-diethylphenyl)-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 146235652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).