[(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol

C23H30N6O2 — CID 126485899

IUPAC[(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol
SMILESCc1nc(N2CCO[C@@H](CO)C2)cc(-n2ncc3cc(C)c(C4CCNCC4)cc32)n1
InChIInChI=1S/C23H30N6O2/c1-15-9-18-12-25-29(21(18)10-20(15)17-3-5-24-6-4-17)23-11-22(26-16(2)27-23)28-7-8-31-19(13-28)14-30/h9-12,17,19,24,30H,3-8,13-14H2,1-2H3/t19-/m1/s1
InChIKeyXXKLZSRGSYWOHE-LJQANCHMSA-N
MW422.53 g/mol
LogP2.10
Rot. Bonds4

About [(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol

[(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol (PubChem CID 126485899) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is [(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol
PubChem CID126485899
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name[(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol
SMILESCc1nc(N2CCO[C@@H](CO)C2)cc(-n2ncc3cc(C)c(C4CCNCC4)cc32)n1
InChIInChI=1S/C23H30N6O2/c1-15-9-18-12-25-29(21(18)10-20(15)17-3-5-24-6-4-17)23-11-22(26-16(2)27-23)28-7-8-31-19(13-28)14-30/h9-12,17,19,24,30H,3-8,13-14H2,1-2H3/t19-/m1/s1
InChIKeyXXKLZSRGSYWOHE-LJQANCHMSA-N
XLogP2.10
TPSA88.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

CID 162641668
CID 162641668
6-(1H-indazol-4-yl)-2-morpholino-N-(2-(pyridin-4-yl)ethyl)pyrimidin-4-amine
CID 53318704
6-(1H-indazol-4-yl)-2-morpholino-N-(2-(pyridin-3-yl)ethyl)pyrimidin-4-amine
CID 53321327
4-(1H-indazol-4-yl)-6-morpholino-N-(2-(pyridin-4-yl)ethyl)pyrimidin-2-amine
CID 53325282
4-(1H-indazol-4-yl)-6-morpholino-N-(2-(pyridin-3-yl)ethyl)pyrimidin-2-amine
CID 53326553
(3R)-4-[2-(1H-indol-4-yl)-6-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-methylmorpholine
CID 168271870
4-[2-(1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)quinazolin-4-yl]morpholine
CID 168273022
(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)quinazolin-4-yl]-3-methylmorpholine
CID 168277102
(3R)-4-[2-(1H-indol-4-yl)-6-(2-propan-2-ylpyrazol-3-yl)quinazolin-4-yl]-3-methylmorpholine
CID 168288703
(3S)-4-[2-(1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)quinazolin-4-yl]-3-methylmorpholine
CID 168293969
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylpyrazolo[3,4-b]pyridin-6-yl)anilino]propan-2-ol
CID 90248416
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol
CID 90335118

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol?
The IUPAC name of [(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol (CID 126485899) is [(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol.
What is the SMILES notation for [(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol?
The canonical SMILES for [(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol is Cc1nc(N2CCO[C@@H](CO)C2)cc(-n2ncc3cc(C)c(C4CCNCC4)cc32)n1.
What is the InChIKey of [(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol?
The InChIKey is XXKLZSRGSYWOHE-LJQANCHMSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-15-9-18-12-25-29(21(18)10-20(15)17-3-5-24-6-4-17)23-11-22(26-16(2)27-23)28-7-8-31-19(13-28)14-30/h9-12,17,19,24,30H,3-8,13-14H2,1-2H3/t19-/m1/s1.
What are the key properties of [(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol?
[(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol has a molecular weight of 422.53 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 126485899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).