1-(cyclopropylmethylamino)-N-[(2,4-difluorophenyl)methyl]-5-[[ethyl(methyl)amino]methyl]-6-hydroxy-7-methylidene-2,3-dihydro-1H-indolizine-8-carboxamide

C25H32F2N4O2 — CID 166978660

IUPAC1-(cyclopropylmethylamino)-N-[(2,4-difluorophenyl)methyl]-5-[[ethyl(methyl)amino]methyl]-6-hydroxy-7-methylidene-2,3-dihydro-1H-indolizine-8-carboxamide
SMILESC=C1C(O)=C(CN(C)CC)N2CCC(NCC3CC3)C2=C1C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C25H32F2N4O2/c1-4-30(3)14-21-24(32)15(2)22(23-20(9-10-31(21)23)28-12-16-5-6-16)25(33)29-13-17-7-8-18(26)11-19(17)27/h7-8,11,16,20,28,32H,2,4-6,9-10,12-14H2,1,3H3,(H,29,33)
InChIKeyIAOZGKKGDZKECA-UHFFFAOYSA-N
MW458.55 g/mol
LogP3.20
Rot. Bonds9

About 1-(cyclopropylmethylamino)-N-[(2,4-difluorophenyl)methyl]-5-[[ethyl(methyl)amino]methyl]-6-hydroxy-7-methylidene-2,3-dihydro-1H-indolizine-8-carboxamide

1-(cyclopropylmethylamino)-N-[(2,4-difluorophenyl)methyl]-5-[[ethyl(methyl)amino]methyl]-6-hydroxy-7-methylidene-2,3-dihydro-1H-indolizine-8-carboxamide (PubChem CID 166978660) has the molecular formula C25H32F2N4O2 and a molecular weight of 458.55 g/mol. Its IUPAC name is 1-(cyclopropylmethylamino)-N-[(2,4-difluorophenyl)methyl]-5-[[ethyl(methyl)amino]methyl]-6-hydroxy-7-methylidene-2,3-dihydro-1H-indolizine-8-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethylamino)-N-[(2,4-difluorophenyl)methyl]-5-[[ethyl(methyl)amino]methyl]-6-hydroxy-7-methylidene-2,3-dihydro-1H-indolizine-8-carboxamide
PubChem CID166978660
Molecular FormulaC25H32F2N4O2
Molecular Weight458.55 g/mol
Exact Mass458.25
IUPAC Name1-(cyclopropylmethylamino)-N-[(2,4-difluorophenyl)methyl]-5-[[ethyl(methyl)amino]methyl]-6-hydroxy-7-methylidene-2,3-dihydro-1H-indolizine-8-carboxamide
SMILESC=C1C(O)=C(CN(C)CC)N2CCC(NCC3CC3)C2=C1C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C25H32F2N4O2/c1-4-30(3)14-21-24(32)15(2)22(23-20(9-10-31(21)23)28-12-16-5-6-16)25(33)29-13-17-7-8-18(26)11-19(17)27/h7-8,11,16,20,28,32H,2,4-6,9-10,12-14H2,1,3H3,(H,29,33)
InChIKeyIAOZGKKGDZKECA-UHFFFAOYSA-N
XLogP3.20
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.55
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(cyclopropylmethylamino)-N-[(2,4-difluorophenyl)methyl]-5-[[ethyl(methyl)amino]methyl]-6-hydroxy-7-methylidene-2,3-dihydro-1H-indolizine-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethylamino)-N-[(2,4-difluorophenyl)methyl]-5-[[ethyl(methyl)amino]methyl]-6-hydroxy-7-methylidene-2,3-dihydro-1H-indolizine-8-carboxamide?
The IUPAC name of 1-(cyclopropylmethylamino)-N-[(2,4-difluorophenyl)methyl]-5-[[ethyl(methyl)amino]methyl]-6-hydroxy-7-methylidene-2,3-dihydro-1H-indolizine-8-carboxamide (CID 166978660) is 1-(cyclopropylmethylamino)-N-[(2,4-difluorophenyl)methyl]-5-[[ethyl(methyl)amino]methyl]-6-hydroxy-7-methylidene-2,3-dihydro-1H-indolizine-8-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethylamino)-N-[(2,4-difluorophenyl)methyl]-5-[[ethyl(methyl)amino]methyl]-6-hydroxy-7-methylidene-2,3-dihydro-1H-indolizine-8-carboxamide?
The canonical SMILES for 1-(cyclopropylmethylamino)-N-[(2,4-difluorophenyl)methyl]-5-[[ethyl(methyl)amino]methyl]-6-hydroxy-7-methylidene-2,3-dihydro-1H-indolizine-8-carboxamide is C=C1C(O)=C(CN(C)CC)N2CCC(NCC3CC3)C2=C1C(=O)NCc1ccc(F)cc1F.
What is the InChIKey of 1-(cyclopropylmethylamino)-N-[(2,4-difluorophenyl)methyl]-5-[[ethyl(methyl)amino]methyl]-6-hydroxy-7-methylidene-2,3-dihydro-1H-indolizine-8-carboxamide?
The InChIKey is IAOZGKKGDZKECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2N4O2/c1-4-30(3)14-21-24(32)15(2)22(23-20(9-10-31(21)23)28-12-16-5-6-16)25(33)29-13-17-7-8-18(26)11-19(17)27/h7-8,11,16,20,28,32H,2,4-6,9-10,12-14H2,1,3H3,(H,29,33).
What are the key properties of 1-(cyclopropylmethylamino)-N-[(2,4-difluorophenyl)methyl]-5-[[ethyl(methyl)amino]methyl]-6-hydroxy-7-methylidene-2,3-dihydro-1H-indolizine-8-carboxamide?
1-(cyclopropylmethylamino)-N-[(2,4-difluorophenyl)methyl]-5-[[ethyl(methyl)amino]methyl]-6-hydroxy-7-methylidene-2,3-dihydro-1H-indolizine-8-carboxamide has a molecular weight of 458.55 g/mol, XLogP of 3.20, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethylamino)-N-[(2,4-difluorophenyl)methyl]-5-[[ethyl(methyl)amino]methyl]-6-hydroxy-7-methylidene-2,3-dihydro-1H-indolizine-8-carboxamide is sourced from PubChem (CID 166978660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).