6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(cyclopropanecarbonylamino)cyclohexyl]-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]pyridine-3-carboxamide

C29H29F2N9O2 — CID 138703700

About 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(cyclopropanecarbonylamino)cyclohexyl]-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]pyridine-3-carboxamide

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(cyclopropanecarbonylamino)cyclohexyl]-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]pyridine-3-carboxamide (PubChem CID 138703700) has the molecular formula C29H29F2N9O2 and a molecular weight of 573.61 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(cyclopropanecarbonylamino)cyclohexyl]-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(cyclopropanecarbonylamino)cyclohexyl]-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]pyridine-3-carboxamide
• PubChem CID: 138703700
• Molecular Formula: C29H29F2N9O2
• Molecular Weight: 573.61 g/mol
• Exact Mass: 573.24
• IUPAC Name: 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(cyclopropanecarbonylamino)cyclohexyl]-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]pyridine-3-carboxamide
• SMILES: N#Cc1cnn2c(-c3cc(Nc4cnn(CC(F)F)c4)c(C(=O)NC4CCC(NC(=O)C5CC5)CC4)cn3)ccc2c1
• InChI: InChI=1S/C29H29F2N9O2/c30-27(31)16-39-15-21(13-34-39)36-24-10-25(26-8-7-22-9-17(11-32)12-35-40(22)26)33-14-23(24)29(42)38-20-5-3-19(4-6-20)37-28(41)18-1-2-18/h7-10,12-15,18-20,27H,1-6,16H2,(H,33,36)(H,37,41)(H,38,42)
• InChIKey: QCRJSCKSPPLCQN-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 142.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.61
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(cyclopropanecarbonylamino)cyclohexyl]-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]pyridine-3-carboxamide?

The IUPAC name of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(cyclopropanecarbonylamino)cyclohexyl]-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]pyridine-3-carboxamide (CID 138703700) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(cyclopropanecarbonylamino)cyclohexyl]-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]pyridine-3-carboxamide.

What is the SMILES notation for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(cyclopropanecarbonylamino)cyclohexyl]-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]pyridine-3-carboxamide?

The canonical SMILES for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(cyclopropanecarbonylamino)cyclohexyl]-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]pyridine-3-carboxamide is N#Cc1cnn2c(-c3cc(Nc4cnn(CC(F)F)c4)c(C(=O)NC4CCC(NC(=O)C5CC5)CC4)cn3)ccc2c1.

What is the InChIKey of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(cyclopropanecarbonylamino)cyclohexyl]-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]pyridine-3-carboxamide?

The InChIKey is QCRJSCKSPPLCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F2N9O2/c30-27(31)16-39-15-21(13-34-39)36-24-10-25(26-8-7-22-9-17(11-32)12-35-40(22)26)33-14-23(24)29(42)38-20-5-3-19(4-6-20)37-28(41)18-1-2-18/h7-10,12-15,18-20,27H,1-6,16H2,(H,33,36)(H,37,41)(H,38,42).

What are the key properties of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(cyclopropanecarbonylamino)cyclohexyl]-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]pyridine-3-carboxamide?

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(cyclopropanecarbonylamino)cyclohexyl]-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]pyridine-3-carboxamide has a molecular weight of 573.61 g/mol, XLogP of 4.04, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(cyclopropanecarbonylamino)cyclohexyl]-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 138703700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).