N-cyclopropyl-4-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine

C22H26FN5 — CID 44591262

IUPACN-cyclopropyl-4-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine
SMILESFc1ccc2c(CCN3CCCC(c4ccnc(NC5CC5)n4)C3)c[nH]c2c1
InChIInChI=1S/C22H26FN5/c23-17-3-6-19-15(13-25-21(19)12-17)8-11-28-10-1-2-16(14-28)20-7-9-24-22(27-20)26-18-4-5-18/h3,6-7,9,12-13,16,18,25H,1-2,4-5,8,10-11,14H2,(H,24,26,27)
InChIKeyNPNPWCJJQLNNPC-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.09
Rot. Bonds6

About N-cyclopropyl-4-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine

N-cyclopropyl-4-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine (PubChem CID 44591262) has the molecular formula C22H26FN5 and a molecular weight of 379.48 g/mol. Its IUPAC name is N-cyclopropyl-4-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine
PubChem CID44591262
Molecular FormulaC22H26FN5
Molecular Weight379.48 g/mol
Exact Mass379.22
IUPAC NameN-cyclopropyl-4-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine
SMILESFc1ccc2c(CCN3CCCC(c4ccnc(NC5CC5)n4)C3)c[nH]c2c1
InChIInChI=1S/C22H26FN5/c23-17-3-6-19-15(13-25-21(19)12-17)8-11-28-10-1-2-16(14-28)20-7-9-24-22(27-20)26-18-4-5-18/h3,6-7,9,12-13,16,18,25H,1-2,4-5,8,10-11,14H2,(H,24,26,27)
InChIKeyNPNPWCJJQLNNPC-UHFFFAOYSA-N
XLogP4.09
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclopropyl-4-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine (CID 44591262) is N-cyclopropyl-4-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopropyl-4-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclopropyl-4-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine is Fc1ccc2c(CCN3CCCC(c4ccnc(NC5CC5)n4)C3)c[nH]c2c1.
What is the InChIKey of N-cyclopropyl-4-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is NPNPWCJJQLNNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5/c23-17-3-6-19-15(13-25-21(19)12-17)8-11-28-10-1-2-16(14-28)20-7-9-24-22(27-20)26-18-4-5-18/h3,6-7,9,12-13,16,18,25H,1-2,4-5,8,10-11,14H2,(H,24,26,27).
What are the key properties of N-cyclopropyl-4-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine?
N-cyclopropyl-4-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 379.48 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 44591262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).