6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C14H13ClN6O2 — CID 168873777

IUPAC6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1ncn2cccc2c1OC
InChIInChI=1S/C14H13ClN6O2/c1-16-14(22)11-8(6-10(15)19-20-11)18-13-12(23-2)9-4-3-5-21(9)7-17-13/h3-7H,1-2H3,(H,16,22)(H,18,19)/i1D3
InChIKeyGLTYRMZGRBTEAB-FIBGUPNXSA-N
MW335.77 g/mol
LogP1.89
Rot. Bonds5

About 6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 168873777) has the molecular formula C14H13ClN6O2 and a molecular weight of 335.77 g/mol. Its IUPAC name is 6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID168873777
Molecular FormulaC14H13ClN6O2
Molecular Weight335.77 g/mol
Exact Mass335.10
IUPAC Name6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1ncn2cccc2c1OC
InChIInChI=1S/C14H13ClN6O2/c1-16-14(22)11-8(6-10(15)19-20-11)18-13-12(23-2)9-4-3-5-21(9)7-17-13/h3-7H,1-2H3,(H,16,22)(H,18,19)/i1D3
InChIKeyGLTYRMZGRBTEAB-FIBGUPNXSA-N
XLogP1.89
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 168873777) is 6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1ncn2cccc2c1OC.
What is the InChIKey of 6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is GLTYRMZGRBTEAB-FIBGUPNXSA-N. The full InChI is InChI=1S/C14H13ClN6O2/c1-16-14(22)11-8(6-10(15)19-20-11)18-13-12(23-2)9-4-3-5-21(9)7-17-13/h3-7H,1-2H3,(H,16,22)(H,18,19)/i1D3.
What are the key properties of 6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 335.77 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 168873777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).