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

C21H23N9O2 — CID 155523586

IUPACN-cyclopropyl-6-[[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3cc(C)n(C)n3)c2=O)nn2c(C(=O)NC3CC3)cnc12
InChIInChI=1S/C21H23N9O2/c1-12-9-18(27-28(12)3)29-8-4-5-14(21(29)32)25-17-10-15(22-2)19-23-11-16(30(19)26-17)20(31)24-13-6-7-13/h4-5,8-11,13,22H,6-7H2,1-3H3,(H,24,31)(H,25,26)
InChIKeyAJGXMPHBDBICPW-UHFFFAOYSA-N
MW433.48 g/mol
LogP1.60
Rot. Bonds6

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

N-cyclopropyl-6-[[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 155523586) has the molecular formula C21H23N9O2 and a molecular weight of 433.48 g/mol. Its IUPAC name is N-cyclopropyl-6-[[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID155523586
Molecular FormulaC21H23N9O2
Molecular Weight433.48 g/mol
Exact Mass433.20
IUPAC NameN-cyclopropyl-6-[[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3cc(C)n(C)n3)c2=O)nn2c(C(=O)NC3CC3)cnc12
InChIInChI=1S/C21H23N9O2/c1-12-9-18(27-28(12)3)29-8-4-5-14(21(29)32)25-17-10-15(22-2)19-23-11-16(30(19)26-17)20(31)24-13-6-7-13/h4-5,8-11,13,22H,6-7H2,1-3H3,(H,24,31)(H,25,26)
InChIKeyAJGXMPHBDBICPW-UHFFFAOYSA-N
XLogP1.60
TPSA123.17 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 51.60
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-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-[[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 155523586) is N-cyclopropyl-6-[[1-(1,5-dimethylpyrazol-3-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-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(Nc2cccn(-c3cc(C)n(C)n3)c2=O)nn2c(C(=O)NC3CC3)cnc12.
What is the InChIKey of N-cyclopropyl-6-[[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is AJGXMPHBDBICPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N9O2/c1-12-9-18(27-28(12)3)29-8-4-5-14(21(29)32)25-17-10-15(22-2)19-23-11-16(30(19)26-17)20(31)24-13-6-7-13/h4-5,8-11,13,22H,6-7H2,1-3H3,(H,24,31)(H,25,26).
What are the key properties of N-cyclopropyl-6-[[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
N-cyclopropyl-6-[[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 433.48 g/mol, XLogP of 1.60, 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-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 155523586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).