N-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

C22H22N6O2S — CID 134456290

IUPACN-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)nc3nc(C)[nH]c23)cccc1-c1nc(C)cs1
InChIInChI=1S/C22H22N6O2S/c1-11-10-31-22(23-11)14-5-4-6-15(19(14)30-3)26-16-9-17(28-21(29)13-7-8-13)27-20-18(16)24-12(2)25-20/h4-6,9-10,13H,7-8H2,1-3H3,(H3,24,25,26,27,28,29)
InChIKeyQFCUJUOMCBAUKZ-UHFFFAOYSA-N
MW434.53 g/mol
LogP4.80
Rot. Bonds6

About N-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

N-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 134456290) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is N-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
PubChem CID134456290
Molecular FormulaC22H22N6O2S
Molecular Weight434.53 g/mol
Exact Mass434.15
IUPAC NameN-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)nc3nc(C)[nH]c23)cccc1-c1nc(C)cs1
InChIInChI=1S/C22H22N6O2S/c1-11-10-31-22(23-11)14-5-4-6-15(19(14)30-3)26-16-9-17(28-21(29)13-7-8-13)27-20-18(16)24-12(2)25-20/h4-6,9-10,13H,7-8H2,1-3H3,(H3,24,25,26,27,28,29)
InChIKeyQFCUJUOMCBAUKZ-UHFFFAOYSA-N
XLogP4.80
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 134456290) is N-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is COc1c(Nc2cc(NC(=O)C3CC3)nc3nc(C)[nH]c23)cccc1-c1nc(C)cs1.
What is the InChIKey of N-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The InChIKey is QFCUJUOMCBAUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S/c1-11-10-31-22(23-11)14-5-4-6-15(19(14)30-3)26-16-9-17(28-21(29)13-7-8-13)27-20-18(16)24-12(2)25-20/h4-6,9-10,13H,7-8H2,1-3H3,(H3,24,25,26,27,28,29).
What are the key properties of N-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
N-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 434.53 g/mol, XLogP of 4.80, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134456290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).