N-cyclopropyl-6-[[1-(5-fluoropyrimidin-2-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

C20H18FN9O2 — CID 155512660

IUPACN-cyclopropyl-6-[[1-(5-fluoropyrimidin-2-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ncc(F)cn3)c2=O)nn2c(C(=O)NC3CC3)cnc12
InChIInChI=1S/C20H18FN9O2/c1-22-14-7-16(28-30-15(10-23-17(14)30)18(31)26-12-4-5-12)27-13-3-2-6-29(19(13)32)20-24-8-11(21)9-25-20/h2-3,6-10,12,22H,4-5H2,1H3,(H,26,31)(H,27,28)
InChIKeyWXPIBXQFPHUCIN-UHFFFAOYSA-N
MW435.42 g/mol
LogP1.49
Rot. Bonds6

About N-cyclopropyl-6-[[1-(5-fluoropyrimidin-2-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

N-cyclopropyl-6-[[1-(5-fluoropyrimidin-2-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 155512660) has the molecular formula C20H18FN9O2 and a molecular weight of 435.42 g/mol. Its IUPAC name is N-cyclopropyl-6-[[1-(5-fluoropyrimidin-2-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[[1-(5-fluoropyrimidin-2-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID155512660
Molecular FormulaC20H18FN9O2
Molecular Weight435.42 g/mol
Exact Mass435.16
IUPAC NameN-cyclopropyl-6-[[1-(5-fluoropyrimidin-2-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ncc(F)cn3)c2=O)nn2c(C(=O)NC3CC3)cnc12
InChIInChI=1S/C20H18FN9O2/c1-22-14-7-16(28-30-15(10-23-17(14)30)18(31)26-12-4-5-12)27-13-3-2-6-29(19(13)32)20-24-8-11(21)9-25-20/h2-3,6-10,12,22H,4-5H2,1H3,(H,26,31)(H,27,28)
InChIKeyWXPIBXQFPHUCIN-UHFFFAOYSA-N
XLogP1.49
TPSA131.13 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.42
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[[1-(5-fluoropyrimidin-2-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-[[1-(5-fluoropyrimidin-2-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 155512660) is N-cyclopropyl-6-[[1-(5-fluoropyrimidin-2-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[[1-(5-fluoropyrimidin-2-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[[1-(5-fluoropyrimidin-2-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(Nc2cccn(-c3ncc(F)cn3)c2=O)nn2c(C(=O)NC3CC3)cnc12.
What is the InChIKey of N-cyclopropyl-6-[[1-(5-fluoropyrimidin-2-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is WXPIBXQFPHUCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN9O2/c1-22-14-7-16(28-30-15(10-23-17(14)30)18(31)26-12-4-5-12)27-13-3-2-6-29(19(13)32)20-24-8-11(21)9-25-20/h2-3,6-10,12,22H,4-5H2,1H3,(H,26,31)(H,27,28).
What are the key properties of N-cyclopropyl-6-[[1-(5-fluoropyrimidin-2-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
N-cyclopropyl-6-[[1-(5-fluoropyrimidin-2-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 435.42 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[[1-(5-fluoropyrimidin-2-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 155512660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).