N-[6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine

C23H23FN6 — CID 110265371

IUPACN-[6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCn1cc(CN2CCCC2c2cccc(Nc3ncccn3)n2)c2cc(F)ccc21
InChIInChI=1S/C23H23FN6/c1-29-14-16(18-13-17(24)8-9-20(18)29)15-30-12-3-6-21(30)19-5-2-7-22(27-19)28-23-25-10-4-11-26-23/h2,4-5,7-11,13-14,21H,3,6,12,15H2,1H3,(H,25,26,27,28)
InChIKeyIYRWMIWPMHDKCN-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.58
Rot. Bonds5

About N-[6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine

N-[6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 110265371) has the molecular formula C23H23FN6 and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID110265371
Molecular FormulaC23H23FN6
Molecular Weight402.48 g/mol
Exact Mass402.20
IUPAC NameN-[6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCn1cc(CN2CCCC2c2cccc(Nc3ncccn3)n2)c2cc(F)ccc21
InChIInChI=1S/C23H23FN6/c1-29-14-16(18-13-17(24)8-9-20(18)29)15-30-12-3-6-21(30)19-5-2-7-22(27-19)28-23-25-10-4-11-26-23/h2,4-5,7-11,13-14,21H,3,6,12,15H2,1H3,(H,25,26,27,28)
InChIKeyIYRWMIWPMHDKCN-UHFFFAOYSA-N
XLogP4.58
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[(2S)-1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 95835693
N-[6-[1-[(5-methoxy-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110265384
6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine
CID 110264698
N-[6-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110265076
6-[(2R)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine
CID 95836361
6-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-2-amine
CID 110265127
4-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 110267126
N-[6-[1-[(5-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 175659043
N,N-dimethyl-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 110265114
N-[6-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
CID 95836145
N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 95835668
N-[6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 95835256

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-[6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine (CID 110265371) is N-[6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-[6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-[6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine is Cn1cc(CN2CCCC2c2cccc(Nc3ncccn3)n2)c2cc(F)ccc21.
What is the InChIKey of N-[6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is IYRWMIWPMHDKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6/c1-29-14-16(18-13-17(24)8-9-20(18)29)15-30-12-3-6-21(30)19-5-2-7-22(27-19)28-23-25-10-4-11-26-23/h2,4-5,7-11,13-14,21H,3,6,12,15H2,1H3,(H,25,26,27,28).
What are the key properties of N-[6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
N-[6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 402.48 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 110265371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).