(2R)-2-methyl-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride

C23H31ClN6O — CID 126486003

IUPAC(2R)-2-methyl-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride
SMILESCc1nc(N2CCO[C@H](C)C2)cc(-n2ncc3cc(C)c(C4CCNCC4)cc32)n1.Cl
InChIInChI=1S/C23H30N6O.ClH/c1-15-10-19-13-25-29(21(19)11-20(15)18-4-6-24-7-5-18)23-12-22(26-17(3)27-23)28-8-9-30-16(2)14-28;/h10-13,16,18,24H,4-9,14H2,1-3H3;1H/t16-;/m1./s1
InChIKeyYFSGZHFRWTXYKO-PKLMIRHRSA-N
MW443.00 g/mol
LogP3.55
Rot. Bonds3

About (2R)-2-methyl-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride

(2R)-2-methyl-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride (PubChem CID 126486003) has the molecular formula C23H31ClN6O and a molecular weight of 443.00 g/mol. Its IUPAC name is (2R)-2-methyl-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-methyl-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride
PubChem CID126486003
Molecular FormulaC23H31ClN6O
Molecular Weight443.00 g/mol
Exact Mass442.22
IUPAC Name(2R)-2-methyl-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride
SMILESCc1nc(N2CCO[C@H](C)C2)cc(-n2ncc3cc(C)c(C4CCNCC4)cc32)n1.Cl
InChIInChI=1S/C23H30N6O.ClH/c1-15-10-19-13-25-29(21(19)11-20(15)18-4-6-24-7-5-18)23-12-22(26-17(3)27-23)28-8-9-30-16(2)14-28;/h10-13,16,18,24H,4-9,14H2,1-3H3;1H/t16-;/m1./s1
InChIKeyYFSGZHFRWTXYKO-PKLMIRHRSA-N
XLogP3.55
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.00
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-methyl-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride
CID 126485814
(2S)-2-methyl-4-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholine
CID 126485757
4-[2-ethyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride
CID 126486018
[(2S)-4-[2-methyl-6-[5-methyl-6-(oxan-3-yl)indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
CID 126485704
[4-[2-methyl-6-[5-methyl-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
CID 153301781
[(2S)-4-[2-methyl-6-[5-methyl-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
CID 135262560
tert-butyl 4-[1-[2-methoxy-6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-5-methylindazol-6-yl]piperidine-1-carboxylate
CID 126485892
4-[6-[6-[(3R,4S)-3-fluoropiperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 126485766
(3S)-4-[2-methoxy-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 153301779
[(2S)-4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol
CID 126485740
4-[5-methyl-1-[2-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-yl]indazol-6-yl]piperidine-1-carboxylic acid
CID 155347059
4-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]piperazine-1-carboxylic acid
CID 146441155

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride?
The IUPAC name of (2R)-2-methyl-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride (CID 126486003) is (2R)-2-methyl-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride.
What is the SMILES notation for (2R)-2-methyl-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride?
The canonical SMILES for (2R)-2-methyl-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride is Cc1nc(N2CCO[C@H](C)C2)cc(-n2ncc3cc(C)c(C4CCNCC4)cc32)n1.Cl.
What is the InChIKey of (2R)-2-methyl-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride?
The InChIKey is YFSGZHFRWTXYKO-PKLMIRHRSA-N. The full InChI is InChI=1S/C23H30N6O.ClH/c1-15-10-19-13-25-29(21(19)11-20(15)18-4-6-24-7-5-18)23-12-22(26-17(3)27-23)28-8-9-30-16(2)14-28;/h10-13,16,18,24H,4-9,14H2,1-3H3;1H/t16-;/m1./s1.
What are the key properties of (2R)-2-methyl-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride?
(2R)-2-methyl-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride has a molecular weight of 443.00 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride is sourced from PubChem (CID 126486003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).