2-methylsulfanyl-6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine

C34H31N7S — CID 11621110

IUPAC2-methylsulfanyl-6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine
SMILESCSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5cc(-c6ccncc6)n[nH]5)CC4)cc3)nc2n1
InChIInChI=1S/C34H31N7S/c1-42-34-36-21-28-19-29(24-5-3-2-4-6-24)32(37-33(28)38-34)27-9-7-23(8-10-27)22-41-17-13-26(14-18-41)31-20-30(39-40-31)25-11-15-35-16-12-25/h2-12,15-16,19-21,26H,13-14,17-18,22H2,1H3,(H,39,40)
InChIKeyHEJHZECVCFFTIH-UHFFFAOYSA-N
MW569.74 g/mol
LogP7.25
Rot. Bonds7

About 2-methylsulfanyl-6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine

2-methylsulfanyl-6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine (PubChem CID 11621110) has the molecular formula C34H31N7S and a molecular weight of 569.74 g/mol. Its IUPAC name is 2-methylsulfanyl-6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methylsulfanyl-6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine
PubChem CID11621110
Molecular FormulaC34H31N7S
Molecular Weight569.74 g/mol
Exact Mass569.24
IUPAC Name2-methylsulfanyl-6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine
SMILESCSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5cc(-c6ccncc6)n[nH]5)CC4)cc3)nc2n1
InChIInChI=1S/C34H31N7S/c1-42-34-36-21-28-19-29(24-5-3-2-4-6-24)32(37-33(28)38-34)27-9-7-23(8-10-27)22-41-17-13-26(14-18-41)31-20-30(39-40-31)25-11-15-35-16-12-25/h2-12,15-16,19-21,26H,13-14,17-18,22H2,1H3,(H,39,40)
InChIKeyHEJHZECVCFFTIH-UHFFFAOYSA-N
XLogP7.25
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.74
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methylsulfanyl-6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

2-{5-[1-({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}pyridine
CID 9829528
1-{1-[4-(3-phenyl-5-pyrimidin-2-ylpyridin-2-yl)benzyl]piperidin-4-yl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11191934
5-{2-[({4-[2-(Methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)amino]ethyl}-1,3,4-thiadiazol-2-amine
CID 11225497
1-[1-({4-[3-phenyl-5-(pyridin-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11249673
6-phenyl-7-[4-({4-[5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}methyl)phenyl]pyrido[2,3-d]pyrimidine-2-carbonitrile
CID 11504922
5-[1-({4-[2-(Methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 11540975
1-[1-({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11541348
7-{4-[(4-{4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl}piperidin-1-yl)methyl]phenyl}-6-phenylpyrido[2,3-d]pyrimidin-4-amine
CID 11556452
2-(5-{1-[(4-{2-methoxy-6-phenylpyrido[2,3-d]pyrimidin-7-yl}phenyl)methyl]piperidin-4-yl}-4H-1,2,4-triazol-3-yl)pyridine
CID 11577612
[3-(4-Methylpiperazin-1-yl)propyl]({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)amine
CID 11585287
1-({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)-N-(pyridin-4-yl)piperidine-4-carboxamide
CID 11592032
6-phenyl-7-[4-({4-[5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}methyl)phenyl]pyrido[2,3-d]pyrimidine-2-carboxamide
CID 11606572

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine?
The IUPAC name of 2-methylsulfanyl-6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine (CID 11621110) is 2-methylsulfanyl-6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2-methylsulfanyl-6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine?
The canonical SMILES for 2-methylsulfanyl-6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine is CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5cc(-c6ccncc6)n[nH]5)CC4)cc3)nc2n1.
What is the InChIKey of 2-methylsulfanyl-6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine?
The InChIKey is HEJHZECVCFFTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N7S/c1-42-34-36-21-28-19-29(24-5-3-2-4-6-24)32(37-33(28)38-34)27-9-7-23(8-10-27)22-41-17-13-26(14-18-41)31-20-30(39-40-31)25-11-15-35-16-12-25/h2-12,15-16,19-21,26H,13-14,17-18,22H2,1H3,(H,39,40).
What are the key properties of 2-methylsulfanyl-6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine?
2-methylsulfanyl-6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine has a molecular weight of 569.74 g/mol, XLogP of 7.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 11621110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).