N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-2-carboxamide

C23H20F3N5O2S — CID 146613876

IUPACN-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-2-carboxamide
SMILESO=C(Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12)C1=NC(CC(F)(F)F)CS1
InChIInChI=1S/C23H20F3N5O2S/c24-23(25,26)9-14-11-34-22(29-14)21(33)30-17-3-1-2-15-16(10-28-19(15)17)13-6-7-27-18(8-13)31-20(32)12-4-5-12/h1-3,6-8,10,12,14,28H,4-5,9,11H2,(H,30,33)(H,27,31,32)
InChIKeyIHPVVLDEKOWKDZ-UHFFFAOYSA-N
MW487.51 g/mol
LogP4.98
Rot. Bonds6

About N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-2-carboxamide

N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-2-carboxamide (PubChem CID 146613876) has the molecular formula C23H20F3N5O2S and a molecular weight of 487.51 g/mol. Its IUPAC name is N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-2-carboxamide
PubChem CID146613876
Molecular FormulaC23H20F3N5O2S
Molecular Weight487.51 g/mol
Exact Mass487.13
IUPAC NameN-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-2-carboxamide
SMILESO=C(Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12)C1=NC(CC(F)(F)F)CS1
InChIInChI=1S/C23H20F3N5O2S/c24-23(25,26)9-14-11-34-22(29-14)21(33)30-17-3-1-2-15-16(10-28-19(15)17)13-6-7-27-18(8-13)31-20(32)12-4-5-12/h1-3,6-8,10,12,14,28H,4-5,9,11H2,(H,30,33)(H,27,31,32)
InChIKeyIHPVVLDEKOWKDZ-UHFFFAOYSA-N
XLogP4.98
TPSA99.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-2-carboxamide (CID 146613876) is N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-2-carboxamide is O=C(Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12)C1=NC(CC(F)(F)F)CS1.
What is the InChIKey of N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-2-carboxamide?
The InChIKey is IHPVVLDEKOWKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2S/c24-23(25,26)9-14-11-34-22(29-14)21(33)30-17-3-1-2-15-16(10-28-19(15)17)13-6-7-27-18(8-13)31-20(32)12-4-5-12/h1-3,6-8,10,12,14,28H,4-5,9,11H2,(H,30,33)(H,27,31,32).
What are the key properties of N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-2-carboxamide?
N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-2-carboxamide has a molecular weight of 487.51 g/mol, XLogP of 4.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 146613876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).