4-[(4-chlorophenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine

C18H20ClN5 — CID 45142258

IUPAC4-[(4-chlorophenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine
SMILESNC1(Cc2ccc(Cl)cc2)CCN(c2ccnc3[nH]ncc23)CC1
InChIInChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10-7-18)16-5-8-21-17-15(16)12-22-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)
InChIKeyZFVMFXQNRBEZFM-UHFFFAOYSA-N
MW341.85 g/mol
LogP3.15
Rot. Bonds3

About 4-[(4-chlorophenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine

4-[(4-chlorophenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine (PubChem CID 45142258) has the molecular formula C18H20ClN5 and a molecular weight of 341.85 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine
PubChem CID45142258
Molecular FormulaC18H20ClN5
Molecular Weight341.85 g/mol
Exact Mass341.14
IUPAC Name4-[(4-chlorophenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine
SMILESNC1(Cc2ccc(Cl)cc2)CCN(c2ccnc3[nH]ncc23)CC1
InChIInChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10-7-18)16-5-8-21-17-15(16)12-22-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)
InChIKeyZFVMFXQNRBEZFM-UHFFFAOYSA-N
XLogP3.15
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 4878
6-chloro-7-(4-(4-chlorobenzyl)piperazin-1-yl)-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo(4,5-b)pyridine
CID 71454279
4-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-amine
CID 17751819
1-(5-(4-chlorophenyl)-4-(4-pyridinyl)-1H-pyrazol-3-yl)-4-methylpiperazine
CID 15541506
1-(4-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methanamine
CID 11696113
5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 21066087
1-(4-(4-chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methanamine
CID 24762195
1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine
CID 44129608
1-[(4-Chlorophenyl)methyl]-4-[4-(2-methylphenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine
CID 1542103
4-N,6-N-bis(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 223753
4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 8
CID 5327824
3,4-Bis((3-chlorophenyl)amino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327825

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine (CID 45142258) is 4-[(4-chlorophenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine is NC1(Cc2ccc(Cl)cc2)CCN(c2ccnc3[nH]ncc23)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine?
The InChIKey is ZFVMFXQNRBEZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10-7-18)16-5-8-21-17-15(16)12-22-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23).
What are the key properties of 4-[(4-chlorophenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine?
4-[(4-chlorophenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine has a molecular weight of 341.85 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine is sourced from PubChem (CID 45142258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).