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

C16H17N5 — CID 95827791

IUPAC5-[[(3R)-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc(N2CC[C@@H](Cc3cnc4[nH]ccc4c3)C2)nc1
InChIInChI=1S/C16H17N5/c1-4-18-16(19-5-1)21-7-3-12(11-21)8-13-9-14-2-6-17-15(14)20-10-13/h1-2,4-6,9-10,12H,3,7-8,11H2,(H,17,20)/t12-/m0/s1
InChIKeyWFJAYPFQLJIZTI-LBPRGKRZSA-N
MW279.35 g/mol
LogP2.42
Rot. Bonds3

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

5-[[(3R)-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 95827791) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 5-[[(3R)-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[[(3R)-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID95827791
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name5-[[(3R)-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc(N2CC[C@@H](Cc3cnc4[nH]ccc4c3)C2)nc1
InChIInChI=1S/C16H17N5/c1-4-18-16(19-5-1)21-7-3-12(11-21)8-13-9-14-2-6-17-15(14)20-10-13/h1-2,4-6,9-10,12H,3,7-8,11H2,(H,17,20)/t12-/m0/s1
InChIKeyWFJAYPFQLJIZTI-LBPRGKRZSA-N
XLogP2.42
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

pyridin-3-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone
CID 110258466
pyridin-2-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone
CID 175652168
(1-methylpyrazol-3-yl)-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone
CID 95827833
5-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 124964578
(4-fluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone
CID 124985689
(4-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone
CID 127245013
5-propyl-2-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 166613520
3-[[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]phenol
CID 166612387
(3R)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124978658
5-ethyl-1H-pyrrolo[2,3-b]pyridine
CID 54231217
1-[4-(2-phenylbenzoyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 110150777
1-[(6S)-4-(2-phenylbenzoyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 125004091

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[[(3R)-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 95827791) is 5-[[(3R)-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[[(3R)-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[[(3R)-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is c1cnc(N2CC[C@@H](Cc3cnc4[nH]ccc4c3)C2)nc1.
What is the InChIKey of 5-[[(3R)-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is WFJAYPFQLJIZTI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17N5/c1-4-18-16(19-5-1)21-7-3-12(11-21)8-13-9-14-2-6-17-15(14)20-10-13/h1-2,4-6,9-10,12H,3,7-8,11H2,(H,17,20)/t12-/m0/s1.
What are the key properties of 5-[[(3R)-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
5-[[(3R)-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 279.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 95827791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).