3-pyridin-4-yl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide

C19H15N7OS — CID 138573612

About 3-pyridin-4-yl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide

3-pyridin-4-yl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide (PubChem CID 138573612) has the molecular formula C19H15N7OS and a molecular weight of 389.44 g/mol. Its IUPAC name is 3-pyridin-4-yl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide.

Molecular Properties

• Compound Name: 3-pyridin-4-yl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
• PubChem CID: 138573612
• Molecular Formula: C19H15N7OS
• Molecular Weight: 389.44 g/mol
• Exact Mass: 389.11
• IUPAC Name: 3-pyridin-4-yl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
• SMILES: C[C@@H](NC(=O)c1nc2cc3[nH][nH]c(-c4ccncc4)c3cc2n1)c1nccs1
• InChI: InChI=1S/C19H15N7OS/c1-10(19-21-6-7-28-19)22-18(27)17-23-14-8-12-13(9-15(14)24-17)25-26-16(12)11-2-4-20-5-3-11/h2-10,25-26H,1H3,(H,22,27)/t10-/m1/s1
• InChIKey: OVYUMMRKQDGIQX-SNVBAGLBSA-N
• XLogP: 3.45
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.44
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?

The IUPAC name of 3-pyridin-4-yl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide (CID 138573612) is 3-pyridin-4-yl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide.

What is the SMILES notation for 3-pyridin-4-yl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?

The canonical SMILES for 3-pyridin-4-yl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide is C[C@@H](NC(=O)c1nc2cc3[nH][nH]c(-c4ccncc4)c3cc2n1)c1nccs1.

What is the InChIKey of 3-pyridin-4-yl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?

The InChIKey is OVYUMMRKQDGIQX-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H15N7OS/c1-10(19-21-6-7-28-19)22-18(27)17-23-14-8-12-13(9-15(14)24-17)25-26-16(12)11-2-4-20-5-3-11/h2-10,25-26H,1H3,(H,22,27)/t10-/m1/s1.

What are the key properties of 3-pyridin-4-yl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?

3-pyridin-4-yl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide has a molecular weight of 389.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-pyridin-4-yl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide is sourced from PubChem (CID 138573612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).