4-chloro-5-fluoro-7-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine

C17H17ClFN5 — CID 58057863

IUPAC4-chloro-5-fluoro-7-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine
SMILESCc1ccc(N2CCC(n3cc(F)c4c(Cl)ncnc43)CC2)nc1
InChIInChI=1S/C17H17ClFN5/c1-11-2-3-14(20-8-11)23-6-4-12(5-7-23)24-9-13(19)15-16(18)21-10-22-17(15)24/h2-3,8-10,12H,4-7H2,1H3
InChIKeyWNOSQNCGYFVCKG-UHFFFAOYSA-N
MW345.81 g/mol
LogP3.77
Rot. Bonds2

About 4-chloro-5-fluoro-7-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine

4-chloro-5-fluoro-7-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine (PubChem CID 58057863) has the molecular formula C17H17ClFN5 and a molecular weight of 345.81 g/mol. Its IUPAC name is 4-chloro-5-fluoro-7-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-7-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine
PubChem CID58057863
Molecular FormulaC17H17ClFN5
Molecular Weight345.81 g/mol
Exact Mass345.12
IUPAC Name4-chloro-5-fluoro-7-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine
SMILESCc1ccc(N2CCC(n3cc(F)c4c(Cl)ncnc43)CC2)nc1
InChIInChI=1S/C17H17ClFN5/c1-11-2-3-14(20-8-11)23-6-4-12(5-7-23)24-9-13(19)15-16(18)21-10-22-17(15)24/h2-3,8-10,12H,4-7H2,1H3
InChIKeyWNOSQNCGYFVCKG-UHFFFAOYSA-N
XLogP3.77
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-5-fluoro-7-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine with MolForge

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Related Compounds

4-chloro-5-fluoro-7-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine
CID 58057695
ethane;1-methyl-4-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]piperazine
CID 144607293
N-methyl-1-(5-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 59535689
1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845665
CID 59766715
CID 59766715
2-[4-(3-methoxypiperidin-1-yl)piperidin-1-yl]-5-methylpyridine
CID 59535820
2-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propan-1-one
CID 155710623
2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine
CID 114802391
[5-(4-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
CID 118389459
4-chloro-7-cyclohexyl-5-methylpyrrolo[2,3-d]pyrimidine;cyclopropylmethanol;ethane
CID 143087805
5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyridine
CID 115871255
5-methyl-2-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine
CID 171429390

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-7-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-fluoro-7-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine (CID 58057863) is 4-chloro-5-fluoro-7-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-7-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-7-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine is Cc1ccc(N2CCC(n3cc(F)c4c(Cl)ncnc43)CC2)nc1.
What is the InChIKey of 4-chloro-5-fluoro-7-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine?
The InChIKey is WNOSQNCGYFVCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN5/c1-11-2-3-14(20-8-11)23-6-4-12(5-7-23)24-9-13(19)15-16(18)21-10-22-17(15)24/h2-3,8-10,12H,4-7H2,1H3.
What are the key properties of 4-chloro-5-fluoro-7-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine?
4-chloro-5-fluoro-7-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine has a molecular weight of 345.81 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-7-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 58057863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).