N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

C19H20F3N5O4S2 — CID 164810376

IUPACN-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cc3c(c(NS(=O)(=O)C4CC4)n2)C(=O)N([C@@H](C)C(F)(F)F)C3)s1
InChIInChI=1S/C19H20F3N5O4S2/c1-8-15(32-18(23-8)24-10(3)28)13-6-11-7-27(9(2)19(20,21)22)17(29)14(11)16(25-13)26-33(30,31)12-4-5-12/h6,9,12H,4-5,7H2,1-3H3,(H,25,26)(H,23,24,28)/t9-/m0/s1
InChIKeyWEWCOTFGKYITHF-VIFPVBQESA-N
MW503.53 g/mol
LogP3.28
Rot. Bonds6

About N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 164810376) has the molecular formula C19H20F3N5O4S2 and a molecular weight of 503.53 g/mol. Its IUPAC name is N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID164810376
Molecular FormulaC19H20F3N5O4S2
Molecular Weight503.53 g/mol
Exact Mass503.09
IUPAC NameN-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cc3c(c(NS(=O)(=O)C4CC4)n2)C(=O)N([C@@H](C)C(F)(F)F)C3)s1
InChIInChI=1S/C19H20F3N5O4S2/c1-8-15(32-18(23-8)24-10(3)28)13-6-11-7-27(9(2)19(20,21)22)17(29)14(11)16(25-13)26-33(30,31)12-4-5-12/h6,9,12H,4-5,7H2,1-3H3,(H,25,26)(H,23,24,28)/t9-/m0/s1
InChIKeyWEWCOTFGKYITHF-VIFPVBQESA-N
XLogP3.28
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.53
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 164810376) is N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2cc3c(c(NS(=O)(=O)C4CC4)n2)C(=O)N([C@@H](C)C(F)(F)F)C3)s1.
What is the InChIKey of N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is WEWCOTFGKYITHF-VIFPVBQESA-N. The full InChI is InChI=1S/C19H20F3N5O4S2/c1-8-15(32-18(23-8)24-10(3)28)13-6-11-7-27(9(2)19(20,21)22)17(29)14(11)16(25-13)26-33(30,31)12-4-5-12/h6,9,12H,4-5,7H2,1-3H3,(H,25,26)(H,23,24,28)/t9-/m0/s1.
What are the key properties of N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 503.53 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 164810376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).