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

C22H22N10O4 — CID 168750412

IUPAC4-[[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
SMILESCNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1nc2ccc(OC3CN(C(=O)CC#N)C3)cn2n1
InChIInChI=1S/C22H22N10O4/c1-24-21(35)19-15(8-16(28-29-19)26-20(34)12-2-3-12)25-22-27-17-5-4-13(11-32(17)30-22)36-14-9-31(10-14)18(33)6-7-23/h4-5,8,11-12,14H,2-3,6,9-10H2,1H3,(H,24,35)(H2,25,26,28,30,34)
InChIKeyIZYFHIIXCOIRGX-UHFFFAOYSA-N
MW490.48 g/mol
LogP0.47
Rot. Bonds8

About 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

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 (PubChem CID 168750412) has the molecular formula C22H22N10O4 and a molecular weight of 490.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[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
PubChem CID168750412
Molecular FormulaC22H22N10O4
Molecular Weight490.48 g/mol
Exact Mass490.18
IUPAC Name4-[[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
SMILESCNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1nc2ccc(OC3CN(C(=O)CC#N)C3)cn2n1
InChIInChI=1S/C22H22N10O4/c1-24-21(35)19-15(8-16(28-29-19)26-20(34)12-2-3-12)25-22-27-17-5-4-13(11-32(17)30-22)36-14-9-31(10-14)18(33)6-7-23/h4-5,8,11-12,14H,2-3,6,9-10H2,1H3,(H,24,35)(H2,25,26,28,30,34)
InChIKeyIZYFHIIXCOIRGX-UHFFFAOYSA-N
XLogP0.47
TPSA179.53 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.48
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1nc2ccc(OC3CN(C(=O)CC#N)C3)cn2n1.
What is the InChIKey of 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?
The InChIKey is IZYFHIIXCOIRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N10O4/c1-24-21(35)19-15(8-16(28-29-19)26-20(34)12-2-3-12)25-22-27-17-5-4-13(11-32(17)30-22)36-14-9-31(10-14)18(33)6-7-23/h4-5,8,11-12,14H,2-3,6,9-10H2,1H3,(H,24,35)(H2,25,26,28,30,34).
What are the key properties of 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?
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 has a molecular weight of 490.48 g/mol, XLogP of 0.47, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168750412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).