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

C23H23ClN6O — CID 155924226

IUPAC4-(4-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
SMILESClc1ccc(Oc2ccnc(NC3CCN(Cc4[nH]nc5ccccc45)CC3)n2)cc1
InChIInChI=1S/C23H23ClN6O/c24-16-5-7-18(8-6-16)31-22-9-12-25-23(27-22)26-17-10-13-30(14-11-17)15-21-19-3-1-2-4-20(19)28-29-21/h1-9,12,17H,10-11,13-15H2,(H,28,29)(H,25,26,27)
InChIKeyKHKFCKIMTPFPOJ-UHFFFAOYSA-N
MW434.93 g/mol
LogP4.88
Rot. Bonds6

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

4-(4-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine (PubChem CID 155924226) has the molecular formula C23H23ClN6O and a molecular weight of 434.93 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
PubChem CID155924226
Molecular FormulaC23H23ClN6O
Molecular Weight434.93 g/mol
Exact Mass434.16
IUPAC Name4-(4-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
SMILESClc1ccc(Oc2ccnc(NC3CCN(Cc4[nH]nc5ccccc45)CC3)n2)cc1
InChIInChI=1S/C23H23ClN6O/c24-16-5-7-18(8-6-16)31-22-9-12-25-23(27-22)26-17-10-13-30(14-11-17)15-21-19-3-1-2-4-20(19)28-29-21/h1-9,12,17H,10-11,13-15H2,(H,28,29)(H,25,26,27)
InChIKeyKHKFCKIMTPFPOJ-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

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Related Compounds

6-(5-Chloro-2-methoxy-phenyl)-N*4*-(1H-indazol-6-yl)-pyrimidine-2,4-diamine
CID 11245550
6-(5-Chloro-2-ethoxy-phenyl)-N*4*-(1H-indazol-6-yl)-pyrimdine-2,4-diamine
CID 11361007
6-(5-Chloro-2-methoxy-phenyl)-N*2*-(1H-indazol-6-yl)-pyrimidine-2,4-diamine
CID 11748922
2-[5-[(3-chloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]-6-piperidin-1-yl-1H-benzimidazole
CID 137133098
2-N-(3-methyl-2H-indazol-6-yl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 44532642
2-N-(1H-indazol-6-yl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 44532644
5-phenylmethoxy-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole
CID 155546912
HIV-1 inhibitor-33
CID 155924129
4-(4-chloro-3,5-dimethyl-phenoxy)-N-[1-(1H-indazol-3-ylmethyl)-4-piperidyl]pyrimidin-2-amine
CID 155924137
4-(2-chlorophenoxy)-N-[1-(1H-indazol-3-ylmethyl)-4-piperidyl]pyrimidin-2-amine
CID 155924209
4-(2-bromophenoxy)-N-[1-(1H-indazol-3-ylmethyl)-4-piperidyl]pyrimidin-2-amine
CID 155924227
N-[1-(1H-indazol-3-ylmethyl)-4-piperidyl]-4-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 155924243

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-(4-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine (CID 155924226) is 4-(4-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(4-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine is Clc1ccc(Oc2ccnc(NC3CCN(Cc4[nH]nc5ccccc45)CC3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is KHKFCKIMTPFPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O/c24-16-5-7-18(8-6-16)31-22-9-12-25-23(27-22)26-17-10-13-30(14-11-17)15-21-19-3-1-2-4-20(19)28-29-21/h1-9,12,17H,10-11,13-15H2,(H,28,29)(H,25,26,27).
What are the key properties of 4-(4-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine?
4-(4-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-(4-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 155924226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).