4-(3-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine

C23H23ClN6O — CID 155924775

IUPAC4-(3-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
SMILESClc1cccc(Oc2ccnc(NC3CCN(Cc4[nH]nc5ccccc45)CC3)n2)c1
InChIInChI=1S/C23H23ClN6O/c24-16-4-3-5-18(14-16)31-22-8-11-25-23(27-22)26-17-9-12-30(13-10-17)15-21-19-6-1-2-7-20(19)28-29-21/h1-8,11,14,17H,9-10,12-13,15H2,(H,28,29)(H,25,26,27)
InChIKeyGNUWONGOJGAMMR-UHFFFAOYSA-N
MW434.93 g/mol
LogP4.88
Rot. Bonds6

About 4-(3-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine

4-(3-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine (PubChem CID 155924775) has the molecular formula C23H23ClN6O and a molecular weight of 434.93 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
PubChem CID155924775
Molecular FormulaC23H23ClN6O
Molecular Weight434.93 g/mol
Exact Mass434.16
IUPAC Name4-(3-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
SMILESClc1cccc(Oc2ccnc(NC3CCN(Cc4[nH]nc5ccccc45)CC3)n2)c1
InChIInChI=1S/C23H23ClN6O/c24-16-4-3-5-18(14-16)31-22-8-11-25-23(27-22)26-17-9-12-30(13-10-17)15-21-19-6-1-2-7-20(19)28-29-21/h1-8,11,14,17H,9-10,12-13,15H2,(H,28,29)(H,25,26,27)
InChIKeyGNUWONGOJGAMMR-UHFFFAOYSA-N
XLogP4.88
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(3-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine with MolForge

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Related Compounds

3-[(4-benzylpiperazin-1-yl)methyl]-2H-indazole
CID 23194192
7-fluoro-6-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]oxyisoquinoline;hydrochloride
CID 162313915
4-[2-[[1-(3-chlorophenyl)piperidin-4-yl]amino]pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
CID 141205764
N-(4-ethylcyclohexyl)-4-phenoxypyrimidin-2-amine
CID 167822808
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-methoxy-2H-indazole
CID 56898962
2-N-(1-benzylpiperidin-4-yl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 70694566
4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 23536242
N-cyclopentyl-4-(4-fluorophenoxy)pyrimidin-2-amine
CID 56553610
5-(3-chlorophenoxy)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine
CID 141302527
4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine
CID 112882378
4-methoxy-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine
CID 112683417

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-(3-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine (CID 155924775) is 4-(3-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(3-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine is Clc1cccc(Oc2ccnc(NC3CCN(Cc4[nH]nc5ccccc45)CC3)n2)c1.
What is the InChIKey of 4-(3-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is GNUWONGOJGAMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O/c24-16-4-3-5-18(14-16)31-22-8-11-25-23(27-22)26-17-9-12-30(13-10-17)15-21-19-6-1-2-7-20(19)28-29-21/h1-8,11,14,17H,9-10,12-13,15H2,(H,28,29)(H,25,26,27).
What are the key properties of 4-(3-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine?
4-(3-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 434.93 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 155924775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).