5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine

C25H32ClN5O — CID 58254953

IUPAC5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine
SMILESCc1cc(Cc2ncc(Cl)c(Cc3ccn[nH]3)n2)c(OC(C)C)cc1C1CCN(C)CC1
InChIInChI=1S/C25H32ClN5O/c1-16(2)32-24-14-21(18-6-9-31(4)10-7-18)17(3)11-19(24)12-25-27-15-22(26)23(29-25)13-20-5-8-28-30-20/h5,8,11,14-16,18H,6-7,9-10,12-13H2,1-4H3,(H,28,30)
InChIKeyTUIOSEWWNDUNSY-UHFFFAOYSA-N
MW454.02 g/mol
LogP4.94
Rot. Bonds7

About 5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine

5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine (PubChem CID 58254953) has the molecular formula C25H32ClN5O and a molecular weight of 454.02 g/mol. Its IUPAC name is 5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine
PubChem CID58254953
Molecular FormulaC25H32ClN5O
Molecular Weight454.02 g/mol
Exact Mass453.23
IUPAC Name5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine
SMILESCc1cc(Cc2ncc(Cl)c(Cc3ccn[nH]3)n2)c(OC(C)C)cc1C1CCN(C)CC1
InChIInChI=1S/C25H32ClN5O/c1-16(2)32-24-14-21(18-6-9-31(4)10-7-18)17(3)11-19(24)12-25-27-15-22(26)23(29-25)13-20-5-8-28-30-20/h5,8,11,14-16,18H,6-7,9-10,12-13H2,1-4H3,(H,28,30)
InChIKeyTUIOSEWWNDUNSY-UHFFFAOYSA-N
XLogP4.94
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.02
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-6-[4-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-2-amine
CID 3546267
4-chloro-6-{4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidino}-2-pyrimidinamine
CID 3596967
2-[4-[[2,6-difluoro-4-[4-(1H-pyrazol-5-yl)phenyl]phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine
CID 44609178
5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N-methyl-N-(pyrimidin-4-ylmethyl)pyridin-2-amine
CID 58212440
4-[5-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-7-[4-(1H-pyrazol-5-yl)phenyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 68793926
5-[5-[4-[3-ethoxy-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]-1H-pyrazol-3-yl]pyridin-2-amine
CID 141288901
2-[4-[3-[3,5-difluoro-4-(5-propan-2-yl-1H-pyrazol-3-yl)phenoxy]propyl]piperidin-1-yl]-5-ethylpyrimidine
CID 141487718
2-[4-[3-[3,5-difluoro-4-(5-propan-2-yl-1H-pyrazol-3-yl)phenoxy]propyl]piperidin-1-yl]-5-propylpyrimidine
CID 141487756
2-[4-[3-[3,5-difluoro-4-(5-propyl-1H-pyrazol-3-yl)phenoxy]propyl]piperidin-1-yl]-5-ethylpyrimidine
CID 141487760
5-chloro-2-[4-[3-[3,5-difluoro-4-(5-propan-2-yl-1H-pyrazol-3-yl)phenoxy]propyl]piperidin-1-yl]pyrimidine
CID 141487767
2-[4-[3-[3,5-difluoro-4-(5-propan-2-yl-1H-pyrazol-3-yl)phenoxy]propyl]piperidin-1-yl]-5-pentylpyrimidine
CID 141487769
2-[4-[[2,6-difluoro-4-phenyl-3-(1H-pyrazol-5-yl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine
CID 142715121

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine?
The IUPAC name of 5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine (CID 58254953) is 5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine.
What is the SMILES notation for 5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine?
The canonical SMILES for 5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine is Cc1cc(Cc2ncc(Cl)c(Cc3ccn[nH]3)n2)c(OC(C)C)cc1C1CCN(C)CC1.
What is the InChIKey of 5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine?
The InChIKey is TUIOSEWWNDUNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN5O/c1-16(2)32-24-14-21(18-6-9-31(4)10-7-18)17(3)11-19(24)12-25-27-15-22(26)23(29-25)13-20-5-8-28-30-20/h5,8,11,14-16,18H,6-7,9-10,12-13H2,1-4H3,(H,28,30).
What are the key properties of 5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine?
5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine has a molecular weight of 454.02 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine is sourced from PubChem (CID 58254953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).