4-[[6-(azetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide;hydrochloride

C19H22ClN9O2 — CID 165177729

IUPAC4-[[6-(azetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide;hydrochloride
SMILESCNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1nc2ccc(C3CNC3)cn2n1.Cl
InChIInChI=1S/C19H21N9O2.ClH/c1-20-18(30)16-13(6-14(25-26-16)23-17(29)10-2-3-10)22-19-24-15-5-4-11(9-28(15)27-19)12-7-21-8-12;/h4-6,9-10,12,21H,2-3,7-8H2,1H3,(H,20,30)(H2,22,23,25,27,29);1H
InChIKeyBZBQVKZBDSHNPC-UHFFFAOYSA-N
MW443.90 g/mol
LogP1.08
Rot. Bonds6

About 4-[[6-(azetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide;hydrochloride

4-[[6-(azetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide;hydrochloride (PubChem CID 165177729) has the molecular formula C19H22ClN9O2 and a molecular weight of 443.90 g/mol. Its IUPAC name is 4-[[6-(azetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[[6-(azetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide;hydrochloride
PubChem CID165177729
Molecular FormulaC19H22ClN9O2
Molecular Weight443.90 g/mol
Exact Mass443.16
IUPAC Name4-[[6-(azetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide;hydrochloride
SMILESCNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1nc2ccc(C3CNC3)cn2n1.Cl
InChIInChI=1S/C19H21N9O2.ClH/c1-20-18(30)16-13(6-14(25-26-16)23-17(29)10-2-3-10)22-19-24-15-5-4-11(9-28(15)27-19)12-7-21-8-12;/h4-6,9-10,12,21H,2-3,7-8H2,1H3,(H,20,30)(H2,22,23,25,27,29);1H
InChIKeyBZBQVKZBDSHNPC-UHFFFAOYSA-N
XLogP1.08
TPSA138.23 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.90
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

4-[[6-[1-(2-cyanoacetyl)azetidin-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
CID 168750412
N-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-4-carboxamide
CID 110471857
4-amino-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
CID 153055210
4-[[6-carbamoyl-3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
CID 176774476
6-(cyclopropanecarbonylamino)-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]-N-methylpyridazine-3-carboxamide
CID 164944216
N-[5-(methylamino)-6-propanoylpyridazin-3-yl]cyclopropanecarboxamide
CID 177347902
6-(cyclopropanecarbonylamino)-N-methyl-4-morpholin-4-ylpyridazine-3-carboxamide
CID 170919609
6-(cyclopropanecarbonylamino)-4-ethenyl-N-methylpyridazine-3-carboxamide
CID 177347381
6-(cyclopropanecarbonylamino)-4-[3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 155535582
4-[[3-bromo-5-(N,S-dimethylsulfonimidoyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
CID 176774503
4-[3-[[4-(cyclopentanecarbonylamino)phenyl]carbamoyl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
CID 171347552
4-[3-[1-(2-aminoethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
CID 170928308

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(azetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide;hydrochloride?
The IUPAC name of 4-[[6-(azetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide;hydrochloride (CID 165177729) is 4-[[6-(azetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-[[6-(azetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide;hydrochloride?
The canonical SMILES for 4-[[6-(azetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide;hydrochloride is CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1nc2ccc(C3CNC3)cn2n1.Cl.
What is the InChIKey of 4-[[6-(azetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide;hydrochloride?
The InChIKey is BZBQVKZBDSHNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N9O2.ClH/c1-20-18(30)16-13(6-14(25-26-16)23-17(29)10-2-3-10)22-19-24-15-5-4-11(9-28(15)27-19)12-7-21-8-12;/h4-6,9-10,12,21H,2-3,7-8H2,1H3,(H,20,30)(H2,22,23,25,27,29);1H.
What are the key properties of 4-[[6-(azetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide;hydrochloride?
4-[[6-(azetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide;hydrochloride has a molecular weight of 443.90 g/mol, XLogP of 1.08, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(azetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide;hydrochloride is sourced from PubChem (CID 165177729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).