(3R)-1-[6-[(6-methoxy-3-pyridinyl)amino]-5-(2-methyl-7H-purin-6-yl)-3-pyridinyl]pyrrolidin-3-ol

C21H22N8O2 — CID 59548314

IUPAC(3R)-1-[6-[(6-methoxy-3-pyridinyl)amino]-5-(2-methyl-7H-purin-6-yl)-3-pyridinyl]pyrrolidin-3-ol
SMILESCOc1ccc(Nc2ncc(N3CC[C@@H](O)C3)cc2-c2nc(C)nc3nc[nH]c23)cn1
InChIInChI=1S/C21H22N8O2/c1-12-26-18(19-21(27-12)25-11-24-19)16-7-14(29-6-5-15(30)10-29)9-23-20(16)28-13-3-4-17(31-2)22-8-13/h3-4,7-9,11,15,30H,5-6,10H2,1-2H3,(H,23,28)(H,24,25,26,27)/t15-/m1/s1
InChIKeyIMLFYVBAKGAECZ-OAHLLOKOSA-N
MW418.46 g/mol
LogP2.44
Rot. Bonds5

About (3R)-1-[6-[(6-methoxy-3-pyridinyl)amino]-5-(2-methyl-7H-purin-6-yl)-3-pyridinyl]pyrrolidin-3-ol

(3R)-1-[6-[(6-methoxy-3-pyridinyl)amino]-5-(2-methyl-7H-purin-6-yl)-3-pyridinyl]pyrrolidin-3-ol (PubChem CID 59548314) has the molecular formula C21H22N8O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is (3R)-1-[6-[(6-methoxy-3-pyridinyl)amino]-5-(2-methyl-7H-purin-6-yl)-3-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[6-[(6-methoxy-3-pyridinyl)amino]-5-(2-methyl-7H-purin-6-yl)-3-pyridinyl]pyrrolidin-3-ol
PubChem CID59548314
Molecular FormulaC21H22N8O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name(3R)-1-[6-[(6-methoxy-3-pyridinyl)amino]-5-(2-methyl-7H-purin-6-yl)-3-pyridinyl]pyrrolidin-3-ol
SMILESCOc1ccc(Nc2ncc(N3CC[C@@H](O)C3)cc2-c2nc(C)nc3nc[nH]c23)cn1
InChIInChI=1S/C21H22N8O2/c1-12-26-18(19-21(27-12)25-11-24-19)16-7-14(29-6-5-15(30)10-29)9-23-20(16)28-13-3-4-17(31-2)22-8-13/h3-4,7-9,11,15,30H,5-6,10H2,1-2H3,(H,23,28)(H,24,25,26,27)/t15-/m1/s1
InChIKeyIMLFYVBAKGAECZ-OAHLLOKOSA-N
XLogP2.44
TPSA124.97 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (3R)-1-[6-[(6-methoxy-3-pyridinyl)amino]-5-(2-methyl-7H-purin-6-yl)-3-pyridinyl]pyrrolidin-3-ol with MolForge

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Launch Full Analysis

Related Compounds

Gdc-0425
CID 58266779
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CID 16203665
4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336092
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CID 135336101
2-(4-(2-(2-methoxypyridin-3-yl)-3H-imidazo[4,5-b]pyridin-6-yl)piperidin-1-yl)-N-methylethanamine
CID 45487354
2-[3-(4-Amino-6-methyl-1,3,5-triazin-2-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 66788835
[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyrimidin-2-ylmethanol
CID 164620295
[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol
CID 164621280
2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine
CID 10171540
3-(5-ethoxy-2-pyridinyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 71520979
N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-6-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-4-amine
CID 118735323
7-benzyl-4-N-(4-methoxyphenyl)-4-N-methyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine
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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[6-[(6-methoxy-3-pyridinyl)amino]-5-(2-methyl-7H-purin-6-yl)-3-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[6-[(6-methoxy-3-pyridinyl)amino]-5-(2-methyl-7H-purin-6-yl)-3-pyridinyl]pyrrolidin-3-ol (CID 59548314) is (3R)-1-[6-[(6-methoxy-3-pyridinyl)amino]-5-(2-methyl-7H-purin-6-yl)-3-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[6-[(6-methoxy-3-pyridinyl)amino]-5-(2-methyl-7H-purin-6-yl)-3-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[6-[(6-methoxy-3-pyridinyl)amino]-5-(2-methyl-7H-purin-6-yl)-3-pyridinyl]pyrrolidin-3-ol is COc1ccc(Nc2ncc(N3CC[C@@H](O)C3)cc2-c2nc(C)nc3nc[nH]c23)cn1.
What is the InChIKey of (3R)-1-[6-[(6-methoxy-3-pyridinyl)amino]-5-(2-methyl-7H-purin-6-yl)-3-pyridinyl]pyrrolidin-3-ol?
The InChIKey is IMLFYVBAKGAECZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22N8O2/c1-12-26-18(19-21(27-12)25-11-24-19)16-7-14(29-6-5-15(30)10-29)9-23-20(16)28-13-3-4-17(31-2)22-8-13/h3-4,7-9,11,15,30H,5-6,10H2,1-2H3,(H,23,28)(H,24,25,26,27)/t15-/m1/s1.
What are the key properties of (3R)-1-[6-[(6-methoxy-3-pyridinyl)amino]-5-(2-methyl-7H-purin-6-yl)-3-pyridinyl]pyrrolidin-3-ol?
(3R)-1-[6-[(6-methoxy-3-pyridinyl)amino]-5-(2-methyl-7H-purin-6-yl)-3-pyridinyl]pyrrolidin-3-ol has a molecular weight of 418.46 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[6-[(6-methoxy-3-pyridinyl)amino]-5-(2-methyl-7H-purin-6-yl)-3-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 59548314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).