5-[2-[1-[(5-fluoro-1-methylindol-3-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine

C25H27FN6 — CID 110252516

IUPAC5-[2-[1-[(5-fluoro-1-methylindol-3-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(-c2cnc(N)nc2)cc(C2CCCN(Cc3cn(C)c4ccc(F)cc34)C2)n1
InChIInChI=1S/C25H27FN6/c1-16-8-18(19-11-28-25(27)29-12-19)9-23(30-16)17-4-3-7-32(14-17)15-20-13-31(2)24-6-5-21(26)10-22(20)24/h5-6,8-13,17H,3-4,7,14-15H2,1-2H3,(H2,27,28,29)
InChIKeyVSYGHIGIEDRKRO-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.44
Rot. Bonds4

About 5-[2-[1-[(5-fluoro-1-methylindol-3-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine

5-[2-[1-[(5-fluoro-1-methylindol-3-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine (PubChem CID 110252516) has the molecular formula C25H27FN6 and a molecular weight of 430.53 g/mol. Its IUPAC name is 5-[2-[1-[(5-fluoro-1-methylindol-3-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-[1-[(5-fluoro-1-methylindol-3-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine
PubChem CID110252516
Molecular FormulaC25H27FN6
Molecular Weight430.53 g/mol
Exact Mass430.23
IUPAC Name5-[2-[1-[(5-fluoro-1-methylindol-3-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(-c2cnc(N)nc2)cc(C2CCCN(Cc3cn(C)c4ccc(F)cc34)C2)n1
InChIInChI=1S/C25H27FN6/c1-16-8-18(19-11-28-25(27)29-12-19)9-23(30-16)17-4-3-7-32(14-17)15-20-13-31(2)24-6-5-21(26)10-22(20)24/h5-6,8-13,17H,3-4,7,14-15H2,1-2H3,(H2,27,28,29)
InChIKeyVSYGHIGIEDRKRO-UHFFFAOYSA-N
XLogP4.44
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-[1-[(5-fluoro-1-methylindol-3-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine with MolForge

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Related Compounds

5-[2-methyl-6-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine
CID 95814034
5-[2-methyl-6-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine
CID 95813876
5-[2-[1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine
CID 110252522
5-[2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine
CID 110252509
[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-fluoro-1-methylindol-2-yl)methanone
CID 95813951
5-methyl-7-[1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 118472527
1-[3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110264820
5-fluoro-1-methyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 117175000
3-[[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-6-methoxy-1-methylindole
CID 110093349
2-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 92616809
[(3S)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-8-ylmethanone
CID 95813924
6-fluoro-1-methyl-3-(piperidin-1-ylmethyl)indole
CID 117178351

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-[(5-fluoro-1-methylindol-3-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[2-[1-[(5-fluoro-1-methylindol-3-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine (CID 110252516) is 5-[2-[1-[(5-fluoro-1-methylindol-3-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-[1-[(5-fluoro-1-methylindol-3-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-[1-[(5-fluoro-1-methylindol-3-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine is Cc1cc(-c2cnc(N)nc2)cc(C2CCCN(Cc3cn(C)c4ccc(F)cc34)C2)n1.
What is the InChIKey of 5-[2-[1-[(5-fluoro-1-methylindol-3-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine?
The InChIKey is VSYGHIGIEDRKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6/c1-16-8-18(19-11-28-25(27)29-12-19)9-23(30-16)17-4-3-7-32(14-17)15-20-13-31(2)24-6-5-21(26)10-22(20)24/h5-6,8-13,17H,3-4,7,14-15H2,1-2H3,(H2,27,28,29).
What are the key properties of 5-[2-[1-[(5-fluoro-1-methylindol-3-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine?
5-[2-[1-[(5-fluoro-1-methylindol-3-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine has a molecular weight of 430.53 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-[(5-fluoro-1-methylindol-3-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 110252516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).