5-chloro-3-fluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]pyridin-2-amine

C13H15ClFN5 — CID 146128765

IUPAC5-chloro-3-fluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]pyridin-2-amine
SMILESCn1cc(N2CCC(Nc3ncc(Cl)cc3F)C2)cn1
InChIInChI=1S/C13H15ClFN5/c1-19-8-11(6-17-19)20-3-2-10(7-20)18-13-12(15)4-9(14)5-16-13/h4-6,8,10H,2-3,7H2,1H3,(H,16,18)
InChIKeyQTKFPSYPFOVOTE-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.30
Rot. Bonds3

About 5-chloro-3-fluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]pyridin-2-amine

5-chloro-3-fluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]pyridin-2-amine (PubChem CID 146128765) has the molecular formula C13H15ClFN5 and a molecular weight of 295.75 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]pyridin-2-amine
PubChem CID146128765
Molecular FormulaC13H15ClFN5
Molecular Weight295.75 g/mol
Exact Mass295.10
IUPAC Name5-chloro-3-fluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]pyridin-2-amine
SMILESCn1cc(N2CCC(Nc3ncc(Cl)cc3F)C2)cn1
InChIInChI=1S/C13H15ClFN5/c1-19-8-11(6-17-19)20-3-2-10(7-20)18-13-12(15)4-9(14)5-16-13/h4-6,8,10H,2-3,7H2,1H3,(H,16,18)
InChIKeyQTKFPSYPFOVOTE-UHFFFAOYSA-N
XLogP2.30
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-fluoro-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 79728230
5-chloro-3-fluoro-N-(1-methylpiperidin-3-yl)pyridin-2-amine
CID 79728337
6,7-difluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinazolin-4-amine
CID 71996426
5-chloro-N-cyclobutyl-3-fluoropyridin-2-amine
CID 79727841
5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-methylpiperidin-2-one
CID 79728769
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-5-methylpyrimidin-2-amine
CID 133438905
5-chloro-3-fluoro-N-(oxan-4-yl)pyridin-2-amine
CID 79728129
5-chloro-3-fluoro-N-(3-methylcyclopentyl)pyridin-2-amine
CID 114539767
3,5-dichloro-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine
CID 61465020
[5-chloro-6-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133330028
5-chloro-N-(3,5-dimethylcyclohexyl)-3-fluoropyridin-2-amine
CID 79727237
5-chloro-3-fluoro-N-(2-methylcyclobutyl)pyridin-2-amine
CID 130556137

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]pyridin-2-amine (CID 146128765) is 5-chloro-3-fluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]pyridin-2-amine is Cn1cc(N2CCC(Nc3ncc(Cl)cc3F)C2)cn1.
What is the InChIKey of 5-chloro-3-fluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]pyridin-2-amine?
The InChIKey is QTKFPSYPFOVOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN5/c1-19-8-11(6-17-19)20-3-2-10(7-20)18-13-12(15)4-9(14)5-16-13/h4-6,8,10H,2-3,7H2,1H3,(H,16,18).
What are the key properties of 5-chloro-3-fluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]pyridin-2-amine?
5-chloro-3-fluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 295.75 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 146128765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).