6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide

C25H28F2N6O2 — CID 138703893

IUPAC6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide
SMILESCC(C)(F)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1N[C@H]1CCC[C@@H](O)C1
InChIInChI=1S/C25H28F2N6O2/c1-25(2,27)23(26)14-30-24(35)19-13-29-21(10-20(19)32-16-4-3-5-18(34)9-16)22-7-6-17-8-15(11-28)12-31-33(17)22/h6-8,10,12-13,16,18,23,34H,3-5,9,14H2,1-2H3,(H,29,32)(H,30,35)/t16-,18+,23+/m0/s1
InChIKeyVYEKFPAHYPJNKA-PRCFCKQXSA-N
MW482.54 g/mol
LogP3.80
Rot. Bonds7

About 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide (PubChem CID 138703893) has the molecular formula C25H28F2N6O2 and a molecular weight of 482.54 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide
PubChem CID138703893
Molecular FormulaC25H28F2N6O2
Molecular Weight482.54 g/mol
Exact Mass482.22
IUPAC Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide
SMILESCC(C)(F)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1N[C@H]1CCC[C@@H](O)C1
InChIInChI=1S/C25H28F2N6O2/c1-25(2,27)23(26)14-30-24(35)19-13-29-21(10-20(19)32-16-4-3-5-18(34)9-16)22-7-6-17-8-15(11-28)12-31-33(17)22/h6-8,10,12-13,16,18,23,34H,3-5,9,14H2,1-2H3,(H,29,32)(H,30,35)/t16-,18+,23+/m0/s1
InChIKeyVYEKFPAHYPJNKA-PRCFCKQXSA-N
XLogP3.80
TPSA115.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide (CID 138703893) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide is CC(C)(F)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1N[C@H]1CCC[C@@H](O)C1.
What is the InChIKey of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide?
The InChIKey is VYEKFPAHYPJNKA-PRCFCKQXSA-N. The full InChI is InChI=1S/C25H28F2N6O2/c1-25(2,27)23(26)14-30-24(35)19-13-29-21(10-20(19)32-16-4-3-5-18(34)9-16)22-7-6-17-8-15(11-28)12-31-33(17)22/h6-8,10,12-13,16,18,23,34H,3-5,9,14H2,1-2H3,(H,29,32)(H,30,35)/t16-,18+,23+/m0/s1.
What are the key properties of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide?
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 3.80, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 138703893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).