(3R)-1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]pyrrolidin-3-ol

C20H24N6O2 — CID 126485747

IUPAC(3R)-1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]pyrrolidin-3-ol
SMILESCc1nc(N2CC(O)C2)cc(-n2ncc3cc(C)c(N4CC[C@@H](O)C4)cc32)n1
InChIInChI=1S/C20H24N6O2/c1-12-5-14-8-21-26(18(14)6-17(12)24-4-3-15(27)9-24)20-7-19(22-13(2)23-20)25-10-16(28)11-25/h5-8,15-16,27-28H,3-4,9-11H2,1-2H3/t15-/m1/s1
InChIKeyXJQGMTSDQVHLBJ-OAHLLOKOSA-N
MW380.45 g/mol
LogP1.18
Rot. Bonds3

About (3R)-1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]pyrrolidin-3-ol

(3R)-1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]pyrrolidin-3-ol (PubChem CID 126485747) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is (3R)-1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]pyrrolidin-3-ol
PubChem CID126485747
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name(3R)-1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]pyrrolidin-3-ol
SMILESCc1nc(N2CC(O)C2)cc(-n2ncc3cc(C)c(N4CC[C@@H](O)C4)cc32)n1
InChIInChI=1S/C20H24N6O2/c1-12-5-14-8-21-26(18(14)6-17(12)24-4-3-15(27)9-24)20-7-19(22-13(2)23-20)25-10-16(28)11-25/h5-8,15-16,27-28H,3-4,9-11H2,1-2H3/t15-/m1/s1
InChIKeyXJQGMTSDQVHLBJ-OAHLLOKOSA-N
XLogP1.18
TPSA90.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-4-ol
CID 126485876
1-[5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-4-ol
CID 152972619
1-[5-chloro-1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]indazol-6-yl]piperidin-4-one
CID 126485705
(3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol
CID 167833801
tert-butyl 4-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidine-1-carboxylate
CID 135279355
1-[6-[6-[3-fluoro-1-(oxolan-3-yl)piperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-ol
CID 135276355
1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-ol
CID 135276399
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
(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
6-(3-fluorooxan-4-yl)-5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazole
CID 163525707
4-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]piperazine-1-carboxylic acid
CID 146441155
1-(6-hydrazinyl-2-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 80919413

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]pyrrolidin-3-ol (CID 126485747) is (3R)-1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]pyrrolidin-3-ol is Cc1nc(N2CC(O)C2)cc(-n2ncc3cc(C)c(N4CC[C@@H](O)C4)cc32)n1.
What is the InChIKey of (3R)-1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]pyrrolidin-3-ol?
The InChIKey is XJQGMTSDQVHLBJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-12-5-14-8-21-26(18(14)6-17(12)24-4-3-15(27)9-24)20-7-19(22-13(2)23-20)25-10-16(28)11-25/h5-8,15-16,27-28H,3-4,9-11H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]pyrrolidin-3-ol?
(3R)-1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]pyrrolidin-3-ol has a molecular weight of 380.45 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]pyrrolidin-3-ol is sourced from PubChem (CID 126485747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).