5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methyl-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidine

C23H23ClN6 — CID 175851635

IUPAC5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methyl-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2ccc(C3CCCN(Cc4ccc(Cl)cc4)C3)nc2c1-c1ccncn1
InChIInChI=1S/C23H23ClN6/c1-16-22(21-8-10-25-15-26-21)23-27-20(9-12-30(23)28-16)18-3-2-11-29(14-18)13-17-4-6-19(24)7-5-17/h4-10,12,15,18H,2-3,11,13-14H2,1H3
InChIKeyINAGGQZUEGCJHX-UHFFFAOYSA-N
MW418.93 g/mol
LogP4.53
Rot. Bonds4

About 5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methyl-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidine

5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methyl-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 175851635) has the molecular formula C23H23ClN6 and a molecular weight of 418.93 g/mol. Its IUPAC name is 5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methyl-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methyl-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID175851635
Molecular FormulaC23H23ClN6
Molecular Weight418.93 g/mol
Exact Mass418.17
IUPAC Name5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methyl-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2ccc(C3CCCN(Cc4ccc(Cl)cc4)C3)nc2c1-c1ccncn1
InChIInChI=1S/C23H23ClN6/c1-16-22(21-8-10-25-15-26-21)23-27-20(9-12-30(23)28-16)18-3-2-11-29(14-18)13-17-4-6-19(24)7-5-17/h4-10,12,15,18H,2-3,11,13-14H2,1H3
InChIKeyINAGGQZUEGCJHX-UHFFFAOYSA-N
XLogP4.53
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methyl-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methyl-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidine
CID 166871258
4-[(3R)-1-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]pyrimidine
CID 124984221
4-[(3S)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]pyrimidine
CID 124976907
4-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidine
CID 131891459
4-[1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine
CID 77079143
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyridine
CID 95838563
4-[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 166871213
2-(3-methylphenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809141
2-[4-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]phenoxy]acetic acid
CID 124977007
N-[[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]propan-2-amine
CID 166871264
7-(1-benzylpiperidin-3-yl)-2-methyl-3-(3-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 166871452
2-[(2-chlorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110249365

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methyl-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methyl-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidine (CID 175851635) is 5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methyl-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methyl-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methyl-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidine is Cc1nn2ccc(C3CCCN(Cc4ccc(Cl)cc4)C3)nc2c1-c1ccncn1.
What is the InChIKey of 5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methyl-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is INAGGQZUEGCJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6/c1-16-22(21-8-10-25-15-26-21)23-27-20(9-12-30(23)28-16)18-3-2-11-29(14-18)13-17-4-6-19(24)7-5-17/h4-10,12,15,18H,2-3,11,13-14H2,1H3.
What are the key properties of 5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methyl-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidine?
5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methyl-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 418.93 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methyl-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 175851635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).