(3S)-4-[2-methoxy-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]-3-methylmorpholine

C23H30N6O2 — CID 153301779

IUPAC(3S)-4-[2-methoxy-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]-3-methylmorpholine
SMILESCOc1nc(N2CCOC[C@@H]2C)cc(-n2ncc3cc(C)c(C4CCNCC4)cc32)n1
InChIInChI=1S/C23H30N6O2/c1-15-10-18-13-25-29(20(18)11-19(15)17-4-6-24-7-5-17)22-12-21(26-23(27-22)30-3)28-8-9-31-14-16(28)2/h10-13,16-17,24H,4-9,14H2,1-3H3/t16-/m0/s1
InChIKeyUMGUYLGVVDMBER-INIZCTEOSA-N
MW422.53 g/mol
LogP2.82
Rot. Bonds4

About (3S)-4-[2-methoxy-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]-3-methylmorpholine

(3S)-4-[2-methoxy-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 153301779) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is (3S)-4-[2-methoxy-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3S)-4-[2-methoxy-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]-3-methylmorpholine
PubChem CID153301779
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name(3S)-4-[2-methoxy-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]-3-methylmorpholine
SMILESCOc1nc(N2CCOC[C@@H]2C)cc(-n2ncc3cc(C)c(C4CCNCC4)cc32)n1
InChIInChI=1S/C23H30N6O2/c1-15-10-18-13-25-29(20(18)11-19(15)17-4-6-24-7-5-17)22-12-21(26-23(27-22)30-3)28-8-9-31-14-16(28)2/h10-13,16-17,24H,4-9,14H2,1-3H3/t16-/m0/s1
InChIKeyUMGUYLGVVDMBER-INIZCTEOSA-N
XLogP2.82
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-[4-[1-[2-methoxy-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]acetate
CID 135262584
5-[2-methoxy-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane;sulfane
CID 169425912
[4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methanol
CID 135262637
4-[1-(2-methoxy-6-morpholin-4-ylpyrimidin-4-yl)-5-methylindazol-6-yl]piperidin-3-ol
CID 145234277
4-[2-ethyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride
CID 126486018
(2R)-2-methyl-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride
CID 126486003
(2S)-2-methyl-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride
CID 126485814
5-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.2]octane
CID 135274034
1-[2-methoxy-6-[5-methyl-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-3-methylazetidin-3-ol
CID 135276546
(3R)-1-[2-methoxy-6-[5-methyl-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 135276553
[(2R)-4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
CID 126485821
[3-[2-methoxy-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]-6-oxa-3-azabicyclo[3.1.1]heptan-1-yl] 2,2,2-trifluoroacetate
CID 155347048

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[2-methoxy-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of (3S)-4-[2-methoxy-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]-3-methylmorpholine (CID 153301779) is (3S)-4-[2-methoxy-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for (3S)-4-[2-methoxy-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for (3S)-4-[2-methoxy-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]-3-methylmorpholine is COc1nc(N2CCOC[C@@H]2C)cc(-n2ncc3cc(C)c(C4CCNCC4)cc32)n1.
What is the InChIKey of (3S)-4-[2-methoxy-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is UMGUYLGVVDMBER-INIZCTEOSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-15-10-18-13-25-29(20(18)11-19(15)17-4-6-24-7-5-17)22-12-21(26-23(27-22)30-3)28-8-9-31-14-16(28)2/h10-13,16-17,24H,4-9,14H2,1-3H3/t16-/m0/s1.
What are the key properties of (3S)-4-[2-methoxy-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]-3-methylmorpholine?
(3S)-4-[2-methoxy-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 422.53 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[2-methoxy-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 153301779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).