3-[cyclopropylmethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide

C24H25F2N3O2 — CID 11418868

IUPAC3-[cyclopropylmethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
SMILESNC(=O)c1ccc(F)c2c1CC(N(CCc1c[nH]c3ccc(F)cc13)CC1CC1)CO2
InChIInChI=1S/C24H25F2N3O2/c25-16-3-6-22-19(9-16)15(11-28-22)7-8-29(12-14-1-2-14)17-10-20-18(24(27)30)4-5-21(26)23(20)31-13-17/h3-6,9,11,14,17,28H,1-2,7-8,10,12-13H2,(H2,27,30)
InChIKeyTWAQVUKMYNLEQM-UHFFFAOYSA-N
MW425.48 g/mol
LogP3.80
Rot. Bonds7

About 3-[cyclopropylmethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide

3-[cyclopropylmethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 11418868) has the molecular formula C24H25F2N3O2 and a molecular weight of 425.48 g/mol. Its IUPAC name is 3-[cyclopropylmethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name3-[cyclopropylmethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID11418868
Molecular FormulaC24H25F2N3O2
Molecular Weight425.48 g/mol
Exact Mass425.19
IUPAC Name3-[cyclopropylmethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
SMILESNC(=O)c1ccc(F)c2c1CC(N(CCc1c[nH]c3ccc(F)cc13)CC1CC1)CO2
InChIInChI=1S/C24H25F2N3O2/c25-16-3-6-22-19(9-16)15(11-28-22)7-8-29(12-14-1-2-14)17-10-20-18(24(27)30)4-5-21(26)23(20)31-13-17/h3-6,9,11,14,17,28H,1-2,7-8,10,12-13H2,(H2,27,30)
InChIKeyTWAQVUKMYNLEQM-UHFFFAOYSA-N
XLogP3.80
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of 3-[cyclopropylmethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide (CID 11418868) is 3-[cyclopropylmethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for 3-[cyclopropylmethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for 3-[cyclopropylmethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide is NC(=O)c1ccc(F)c2c1CC(N(CCc1c[nH]c3ccc(F)cc13)CC1CC1)CO2.
What is the InChIKey of 3-[cyclopropylmethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is TWAQVUKMYNLEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O2/c25-16-3-6-22-19(9-16)15(11-28-22)7-8-29(12-14-1-2-14)17-10-20-18(24(27)30)4-5-21(26)23(20)31-13-17/h3-6,9,11,14,17,28H,1-2,7-8,10,12-13H2,(H2,27,30).
What are the key properties of 3-[cyclopropylmethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
3-[cyclopropylmethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide has a molecular weight of 425.48 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 11418868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).