2-chloro-4-[(3R,4S)-4-fluoropiperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine

C11H12ClFN4O — CID 142615170

IUPAC2-chloro-4-[(3R,4S)-4-fluoropiperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine
SMILESF[C@H]1CCNC[C@H]1Oc1nc(Cl)nc2[nH]ccc12
InChIInChI=1S/C11H12ClFN4O/c12-11-16-9-6(1-4-15-9)10(17-11)18-8-5-14-3-2-7(8)13/h1,4,7-8,14H,2-3,5H2,(H,15,16,17)/t7-,8+/m0/s1
InChIKeyIFEBYVFNQVXFOW-JGVFFNPUSA-N
MW270.69 g/mol
LogP1.69
Rot. Bonds2

About 2-chloro-4-[(3R,4S)-4-fluoropiperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine

2-chloro-4-[(3R,4S)-4-fluoropiperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 142615170) has the molecular formula C11H12ClFN4O and a molecular weight of 270.69 g/mol. Its IUPAC name is 2-chloro-4-[(3R,4S)-4-fluoropiperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[(3R,4S)-4-fluoropiperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID142615170
Molecular FormulaC11H12ClFN4O
Molecular Weight270.69 g/mol
Exact Mass270.07
IUPAC Name2-chloro-4-[(3R,4S)-4-fluoropiperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine
SMILESF[C@H]1CCNC[C@H]1Oc1nc(Cl)nc2[nH]ccc12
InChIInChI=1S/C11H12ClFN4O/c12-11-16-9-6(1-4-15-9)10(17-11)18-8-5-14-3-2-7(8)13/h1,4,7-8,14H,2-3,5H2,(H,15,16,17)/t7-,8+/m0/s1
InChIKeyIFEBYVFNQVXFOW-JGVFFNPUSA-N
XLogP1.69
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-[(3R,4S)-4-fluoropiperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine with MolForge

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Related Compounds

4-cyclohexyloxy-7H-pyrrolo[2,3-d]pyrimidine;hydrochloride
CID 156020530
2-amino-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 118708943
3-oxo-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)piperidin-1-yl]propanenitrile
CID 134537031
3-oxo-3-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxymethyl)piperidin-1-yl]propanenitrile
CID 134537173
4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 12830522
4-(cyclohexylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 137634431
4-[4-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexyl]morpholine
CID 145965954
(2S)-2-methyl-4-[4-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexyl]morpholine
CID 145972784
(2R)-2-methyl-4-[4-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexyl]morpholine
CID 145976048
4,5-dimethyl-6-[(1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidin-4-yl)methoxy]pyrimidine
CID 132451713
4-cyclohexyloxy-7H-pyrrolo[2,3-d]pyrimidine
CID 22484549
4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine
CID 72945947

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3R,4S)-4-fluoropiperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-[(3R,4S)-4-fluoropiperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine (CID 142615170) is 2-chloro-4-[(3R,4S)-4-fluoropiperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-[(3R,4S)-4-fluoropiperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-[(3R,4S)-4-fluoropiperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine is F[C@H]1CCNC[C@H]1Oc1nc(Cl)nc2[nH]ccc12.
What is the InChIKey of 2-chloro-4-[(3R,4S)-4-fluoropiperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is IFEBYVFNQVXFOW-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H12ClFN4O/c12-11-16-9-6(1-4-15-9)10(17-11)18-8-5-14-3-2-7(8)13/h1,4,7-8,14H,2-3,5H2,(H,15,16,17)/t7-,8+/m0/s1.
What are the key properties of 2-chloro-4-[(3R,4S)-4-fluoropiperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine?
2-chloro-4-[(3R,4S)-4-fluoropiperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 270.69 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3R,4S)-4-fluoropiperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 142615170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).