2-[(3R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine

C20H25N5O — CID 92611352

IUPAC2-[(3R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOCCc1ncc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cn1
InChIInChI=1S/C20H25N5O/c1-26-9-6-19-22-11-15(12-23-19)13-25-8-3-5-17(14-25)18-10-16-4-2-7-21-20(16)24-18/h2,4,7,10-12,17H,3,5-6,8-9,13-14H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyANWBGAILSVQSBF-QGZVFWFLSA-N
MW351.45 g/mol
LogP2.92
Rot. Bonds6

About 2-[(3R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine

2-[(3R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 92611352) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[(3R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-[(3R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID92611352
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name2-[(3R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOCCc1ncc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cn1
InChIInChI=1S/C20H25N5O/c1-26-9-6-19-22-11-15(12-23-19)13-25-8-3-5-17(14-25)18-10-16-4-2-7-21-20(16)24-18/h2,4,7,10-12,17H,3,5-6,8-9,13-14H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyANWBGAILSVQSBF-QGZVFWFLSA-N
XLogP2.92
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

[2-methoxy-5-[[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 92597374
2-[(3S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-N-(3-methyl-2-pyridinyl)pyridin-4-amine
CID 95834977
3-methoxy-1-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one
CID 92610992
2-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92594818
2-[(3S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92589629
2-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92589874
2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92572827
N-[2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 110093602
N,N-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide
CID 165433208
1-methyl-4-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110234485
(3R,4R)-4-(azepan-1-yl)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-ol
CID 28956428
pyrimidin-5-yl-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 110258753

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-[(3R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine (CID 92611352) is 2-[(3R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-[(3R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-[(3R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine is COCCc1ncc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cn1.
What is the InChIKey of 2-[(3R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ANWBGAILSVQSBF-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N5O/c1-26-9-6-19-22-11-15(12-23-19)13-25-8-3-5-17(14-25)18-10-16-4-2-7-21-20(16)24-18/h2,4,7,10-12,17H,3,5-6,8-9,13-14H2,1H3,(H,21,24)/t17-/m1/s1.
What are the key properties of 2-[(3R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine?
2-[(3R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 351.45 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 92611352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).