N-[4-[3-[4-(difluoromethyl)-1,3-thiazol-2-yl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

C19H15F2N5O2S — CID 137127706

IUPACN-[4-[3-[4-(difluoromethyl)-1,3-thiazol-2-yl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
SMILESCOc1ccnc2c(-c3nc(C(F)F)cs3)c(-c3ccnc(NC(C)=O)c3)[nH]c12
InChIInChI=1S/C19H15F2N5O2S/c1-9(27)24-13-7-10(3-5-22-13)15-14(19-25-11(8-29-19)18(20)21)17-16(26-15)12(28-2)4-6-23-17/h3-8,18,26H,1-2H3,(H,22,24,27)
InChIKeyHABOKJZXHIPVPG-UHFFFAOYSA-N
MW415.43 g/mol
LogP4.65
Rot. Bonds5

About N-[4-[3-[4-(difluoromethyl)-1,3-thiazol-2-yl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

N-[4-[3-[4-(difluoromethyl)-1,3-thiazol-2-yl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (PubChem CID 137127706) has the molecular formula C19H15F2N5O2S and a molecular weight of 415.43 g/mol. Its IUPAC name is N-[4-[3-[4-(difluoromethyl)-1,3-thiazol-2-yl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[4-(difluoromethyl)-1,3-thiazol-2-yl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
PubChem CID137127706
Molecular FormulaC19H15F2N5O2S
Molecular Weight415.43 g/mol
Exact Mass415.09
IUPAC NameN-[4-[3-[4-(difluoromethyl)-1,3-thiazol-2-yl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
SMILESCOc1ccnc2c(-c3nc(C(F)F)cs3)c(-c3ccnc(NC(C)=O)c3)[nH]c12
InChIInChI=1S/C19H15F2N5O2S/c1-9(27)24-13-7-10(3-5-22-13)15-14(19-25-11(8-29-19)18(20)21)17-16(26-15)12(28-2)4-6-23-17/h3-8,18,26H,1-2H3,(H,22,24,27)
InChIKeyHABOKJZXHIPVPG-UHFFFAOYSA-N
XLogP4.65
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[3-[5-(difluoromethoxy)pyridin-2-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl]acetamide
CID 121411994
1-[2-[5-(1-Fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
CID 46931332
N-[4-[5-(1H-imidazol-2-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyridin-2-yl]acetamide
CID 58095084
N-(4-(6-(2-((R)-1-((R)-Pyrrolidin-2-yl)ethylamino)-6-(trifluoromethyl)pyridin-3-yl)-pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide
CID 58691363
N-[4-[6-[2-[[(2R)-pyrrolidin-2-yl]methylamino]-6-(trifluoromethyl)pyridin-3-yl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
CID 58691368
N-(4-(6-(2-(Pyrrolidin-3-ylamino)-6-(trifluoromethyl)pyridin-3-yl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide
CID 58691372
N-[4-[6-[2-[[(1S)-1-[(2S)-pyrrolidin-2-yl]ethyl]amino]-6-(trifluoromethyl)pyridin-3-yl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
CID 58691407
5-[2-(4-fluorophenyl)-5-(1,3-thiazol-2-yl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine
CID 59137471
N-[[8-fluoro-6-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine
CID 68110991
N-[4-[6-[2-(1-pyrrolidin-2-ylethylamino)-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
CID 72393477
N-[4-[6-[2-(pyrrolidin-2-ylmethylamino)-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
CID 72393479
N-[4-[6-[2-[[(1R)-1-pyrrolidin-2-ylethyl]amino]-6-(trifluoromethyl)pyridin-3-yl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
CID 87785900

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(difluoromethyl)-1,3-thiazol-2-yl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[3-[4-(difluoromethyl)-1,3-thiazol-2-yl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (CID 137127706) is N-[4-[3-[4-(difluoromethyl)-1,3-thiazol-2-yl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[3-[4-(difluoromethyl)-1,3-thiazol-2-yl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[3-[4-(difluoromethyl)-1,3-thiazol-2-yl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is COc1ccnc2c(-c3nc(C(F)F)cs3)c(-c3ccnc(NC(C)=O)c3)[nH]c12.
What is the InChIKey of N-[4-[3-[4-(difluoromethyl)-1,3-thiazol-2-yl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The InChIKey is HABOKJZXHIPVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O2S/c1-9(27)24-13-7-10(3-5-22-13)15-14(19-25-11(8-29-19)18(20)21)17-16(26-15)12(28-2)4-6-23-17/h3-8,18,26H,1-2H3,(H,22,24,27).
What are the key properties of N-[4-[3-[4-(difluoromethyl)-1,3-thiazol-2-yl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
N-[4-[3-[4-(difluoromethyl)-1,3-thiazol-2-yl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 415.43 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-(difluoromethyl)-1,3-thiazol-2-yl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 137127706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).