[4-chloro-5-methyl-6-[4-(1-methylindol-5-yl)oxypiperidin-1-yl]pyrimidin-2-yl]methanol

C20H23ClN4O2 — CID 135154866

IUPAC[4-chloro-5-methyl-6-[4-(1-methylindol-5-yl)oxypiperidin-1-yl]pyrimidin-2-yl]methanol
SMILESCc1c(Cl)nc(CO)nc1N1CCC(Oc2ccc3c(ccn3C)c2)CC1
InChIInChI=1S/C20H23ClN4O2/c1-13-19(21)22-18(12-26)23-20(13)25-9-6-15(7-10-25)27-16-3-4-17-14(11-16)5-8-24(17)2/h3-5,8,11,15,26H,6-7,9-10,12H2,1-2H3
InChIKeyDSAGSFJIDWDGEC-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.47
Rot. Bonds4

About [4-chloro-5-methyl-6-[4-(1-methylindol-5-yl)oxypiperidin-1-yl]pyrimidin-2-yl]methanol

[4-chloro-5-methyl-6-[4-(1-methylindol-5-yl)oxypiperidin-1-yl]pyrimidin-2-yl]methanol (PubChem CID 135154866) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is [4-chloro-5-methyl-6-[4-(1-methylindol-5-yl)oxypiperidin-1-yl]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-chloro-5-methyl-6-[4-(1-methylindol-5-yl)oxypiperidin-1-yl]pyrimidin-2-yl]methanol
PubChem CID135154866
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name[4-chloro-5-methyl-6-[4-(1-methylindol-5-yl)oxypiperidin-1-yl]pyrimidin-2-yl]methanol
SMILESCc1c(Cl)nc(CO)nc1N1CCC(Oc2ccc3c(ccn3C)c2)CC1
InChIInChI=1S/C20H23ClN4O2/c1-13-19(21)22-18(12-26)23-20(13)25-9-6-15(7-10-25)27-16-3-4-17-14(11-16)5-8-24(17)2/h3-5,8,11,15,26H,6-7,9-10,12H2,1-2H3
InChIKeyDSAGSFJIDWDGEC-UHFFFAOYSA-N
XLogP3.47
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-chloro-6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol
CID 142380150
7-[1-[6-chloro-2-(hydroxymethyl)-5-methylpyrimidin-4-yl]piperidin-4-yl]oxy-2-methyl-3,4-dihydroisoquinolin-1-one
CID 135171381
7-[1-[6-chloro-2-(hydroxymethyl)-5-methylpyrimidin-4-yl]piperidin-4-yl]oxy-3,4-dihydro-2H-naphthalen-1-one
CID 135171035
[4-chloro-6-[(3R,4S)-3-fluoro-4-(1-methylindazol-5-yl)oxypiperidin-1-yl]-5-methylpyrimidin-2-yl]methanol
CID 139581399
6-[(3S,4R)-1-[6-chloro-2-(hydroxymethyl)-5-methylpyrimidin-4-yl]-3-fluoropiperidin-4-yl]oxy-2-methyl-3H-isoindol-1-one
CID 135171379
4-chloro-2-cyclopropyl-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine
CID 135154119
6-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-3,4-dihydro-2H-1,4-benzoxazine
CID 142386880
5-cyclopentyloxy-1-ethylindole
CID 57315298
5-methoxy-1-methylindole
CID 819864
1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-ol
CID 63735099
1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidine-4-carboxamide
CID 79238224
2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277559

Frequently Asked Questions

What is the IUPAC name of [4-chloro-5-methyl-6-[4-(1-methylindol-5-yl)oxypiperidin-1-yl]pyrimidin-2-yl]methanol?
The IUPAC name of [4-chloro-5-methyl-6-[4-(1-methylindol-5-yl)oxypiperidin-1-yl]pyrimidin-2-yl]methanol (CID 135154866) is [4-chloro-5-methyl-6-[4-(1-methylindol-5-yl)oxypiperidin-1-yl]pyrimidin-2-yl]methanol.
What is the SMILES notation for [4-chloro-5-methyl-6-[4-(1-methylindol-5-yl)oxypiperidin-1-yl]pyrimidin-2-yl]methanol?
The canonical SMILES for [4-chloro-5-methyl-6-[4-(1-methylindol-5-yl)oxypiperidin-1-yl]pyrimidin-2-yl]methanol is Cc1c(Cl)nc(CO)nc1N1CCC(Oc2ccc3c(ccn3C)c2)CC1.
What is the InChIKey of [4-chloro-5-methyl-6-[4-(1-methylindol-5-yl)oxypiperidin-1-yl]pyrimidin-2-yl]methanol?
The InChIKey is DSAGSFJIDWDGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-13-19(21)22-18(12-26)23-20(13)25-9-6-15(7-10-25)27-16-3-4-17-14(11-16)5-8-24(17)2/h3-5,8,11,15,26H,6-7,9-10,12H2,1-2H3.
What are the key properties of [4-chloro-5-methyl-6-[4-(1-methylindol-5-yl)oxypiperidin-1-yl]pyrimidin-2-yl]methanol?
[4-chloro-5-methyl-6-[4-(1-methylindol-5-yl)oxypiperidin-1-yl]pyrimidin-2-yl]methanol has a molecular weight of 386.88 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-5-methyl-6-[4-(1-methylindol-5-yl)oxypiperidin-1-yl]pyrimidin-2-yl]methanol is sourced from PubChem (CID 135154866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).