6-[[4-[[(2R)-2-aminopropanoyl]amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide

C26H29FN10O2 — CID 59624610

IUPAC6-[[4-[[(2R)-2-aminopropanoyl]amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESC[C@@H](N)C(=O)NC1CCC(Nc2cc(Nc3ccccn3)c3ncc(C(=O)Nc4ccncc4F)n3n2)CC1
InChIInChI=1S/C26H29FN10O2/c1-15(28)25(38)33-17-7-5-16(6-8-17)32-23-12-20(34-22-4-2-3-10-30-22)24-31-14-21(37(24)36-23)26(39)35-19-9-11-29-13-18(19)27/h2-4,9-17H,5-8,28H2,1H3,(H,30,34)(H,32,36)(H,33,38)(H,29,35,39)/t15-,16?,17?/m1/s1
InChIKeyIKJIWONGZOQXNR-KLAILNCOSA-N
MW532.58 g/mol
LogP2.84
Rot. Bonds8

About 6-[[4-[[(2R)-2-aminopropanoyl]amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide

6-[[4-[[(2R)-2-aminopropanoyl]amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 59624610) has the molecular formula C26H29FN10O2 and a molecular weight of 532.58 g/mol. Its IUPAC name is 6-[[4-[[(2R)-2-aminopropanoyl]amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-[[(2R)-2-aminopropanoyl]amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID59624610
Molecular FormulaC26H29FN10O2
Molecular Weight532.58 g/mol
Exact Mass532.25
IUPAC Name6-[[4-[[(2R)-2-aminopropanoyl]amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESC[C@@H](N)C(=O)NC1CCC(Nc2cc(Nc3ccccn3)c3ncc(C(=O)Nc4ccncc4F)n3n2)CC1
InChIInChI=1S/C26H29FN10O2/c1-15(28)25(38)33-17-7-5-16(6-8-17)32-23-12-20(34-22-4-2-3-10-30-22)24-31-14-21(37(24)36-23)26(39)35-19-9-11-29-13-18(19)27/h2-4,9-17H,5-8,28H2,1H3,(H,30,34)(H,32,36)(H,33,38)(H,29,35,39)/t15-,16?,17?/m1/s1
InChIKeyIKJIWONGZOQXNR-KLAILNCOSA-N
XLogP2.84
TPSA164.25 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.58
LogP ≤ 52.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

Analyze 6-[[4-[[(2R)-2-aminopropanoyl]amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[[(2R)-2-aminopropanoyl]amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[[4-[[(2R)-2-aminopropanoyl]amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 59624610) is 6-[[4-[[(2R)-2-aminopropanoyl]amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[4-[[(2R)-2-aminopropanoyl]amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[[4-[[(2R)-2-aminopropanoyl]amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide is C[C@@H](N)C(=O)NC1CCC(Nc2cc(Nc3ccccn3)c3ncc(C(=O)Nc4ccncc4F)n3n2)CC1.
What is the InChIKey of 6-[[4-[[(2R)-2-aminopropanoyl]amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is IKJIWONGZOQXNR-KLAILNCOSA-N. The full InChI is InChI=1S/C26H29FN10O2/c1-15(28)25(38)33-17-7-5-16(6-8-17)32-23-12-20(34-22-4-2-3-10-30-22)24-31-14-21(37(24)36-23)26(39)35-19-9-11-29-13-18(19)27/h2-4,9-17H,5-8,28H2,1H3,(H,30,34)(H,32,36)(H,33,38)(H,29,35,39)/t15-,16?,17?/m1/s1.
What are the key properties of 6-[[4-[[(2R)-2-aminopropanoyl]amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
6-[[4-[[(2R)-2-aminopropanoyl]amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 532.58 g/mol, XLogP of 2.84, 8 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[[(2R)-2-aminopropanoyl]amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 59624610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).